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

Systemtic Name: methyl 5-methyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O3S3 MolecularWeight: 409.54606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O3S3/c1-11-8-13(16(22)23-2)15(26-11)18-17(24)20-19-14(21)10-25-9-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)