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

Systemtic Name: methyl 2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(benzoylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzoylsulfamoyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(benzoylsulfamoyl)phenyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H21N3O5S3 MolecularWeight: 515.62494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S3/c1-31-22(28)19-17-8-5-9-18(17)33-21(19)25-23(32)24-15-10-12-16(13-11-15)34(29,30)26-20(27)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,26,27)(H2,24,25,32)