methyl 2-[[cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O3S/c1-16-8-7-9-17-14-18(23(29)27-22(16)17)15-28(19-10-3-4-11-19)25(32)26-21-13-6-5-12-20(21)24(30)31-2/h5-9,12-14,19H,3-4,10-11,15H2,1-2H3,(H,26,32)(H,27,29)