methyl 2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S3/c1-25-18(24)16-13-8-5-9-14(13)28-17(16)20-19(26)22-21-15(23)11-27-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,21,23)(H2,20,22,26)