(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
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![(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0e254c0cdab14fa7b161c26bf5f02b37.png "(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide")
(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
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CAS No:
329205-59-6
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Formula:
C19H21N5O5S2
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Chemical Name:
(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
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Synonyms:
MLS001211174;SMR000513502;(2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(3,4-dimethoxyphenyl)prop-2-enamide;CHEMBL1594012;BDBM61742;cid_1974579;HMS2858D19;ZINC2362668;STK545333;AKOS000584460;(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide;ST000158;(E)-3-(3,4-dimethoxyphenyl)-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]acrylamide;(2E)-N-[({4-[(amidinoamino)sulfonyl]phenyl}amino)thioxomethyl]-3-(3,4-dimethox yphenyl)prop-2-enamide;(E)-N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide;(E)-N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide;329205-59-6
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CAS No:
(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Basic Attributes
463.5 g/mol
463.09841113 g/mol
Computed Properties
Molecular Weight:463.5
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:463.09841113
Monoisotopic Mass:463.09841113
Topological Polar Surface Area:199
Heavy Atom Count:31
Complexity:784
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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