methyl 2-[[cyclopentyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-31-19-12-11-16-13-17(23(29)26-22(16)14-19)15-28(18-7-3-4-8-18)25(33)27-21-10-6-5-9-20(21)24(30)32-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,26,29)(H,27,33)