methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
334503-49-0
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Formula:
C18H18N2O3S3
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Chemical Name:
methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
334503-49-0;(E)-methyl 2-(3-(3-(thiophen-2-yl)acryloyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;METHYL 2-({[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]METHANETHIOYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE;ARONIS006403;ZINC2316385;STK123572;AKOS000496168;methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;F1522-8155;methyl 2-({[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
methyl 2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
406.5 g/mol
406.04795596 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:406.04795596
Monoisotopic Mass:406.04795596
Topological Polar Surface Area:156
Heavy Atom Count:26
Complexity:584
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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