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

Systemtic Name: methyl 2-[[cyclohexyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohexyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H29N3O3S/c1-17-9-8-10-18-15-19(24(30)28-23(17)18)16-29(20-11-4-3-5-12-20)26(33)27-22-14-7-6-13-21(22)25(31)32-2/h6-10,13-15,20H,3-5,11-12,16H2,1-2H3,(H,27,33)(H,28,30)