methyl 5-phenyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O3S3 MolecularWeight: 471.61544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S3/c1-28-21(27)17-12-18(16-10-6-3-7-11-16)31-20(17)23-22(29)25-24-19(26)14-30-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,24,26)(H2,23,25,29)