methyl 2-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O3S2/c1-32-25(31)22-17-11-7-13-21(17)34-24(22)29-26(33)28-23(30)18-14-20(15-8-3-2-4-9-15)27-19-12-6-5-10-16(18)19/h2-6,8-10,12,14H,7,11,13H2,1H3,(H2,28,29,30,33)