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

Systemtic Name: methyl 2-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzoylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-benzoylphenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S2/c1-28-22(27)19-16-11-7-13-18(16)30-21(19)25-23(29)24-17-12-6-5-10-15(17)20(26)14-8-3-2-4-9-14/h2-6,8-10,12H,7,11,13H2,1H3,(H2,24,25,29)