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

Systemtic Name: methyl 2-[(2-phenylsulfanylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-phenylsulfanylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-phenylsulfanylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(phenylthio)phenyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S3 MolecularWeight: 440.6014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S3/c1-26-21(25)19-15-10-7-13-17(15)29-20(19)24-22(27)23-16-11-5-6-12-18(16)28-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3,(H2,23,24,27)