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

Systemtic Name: methyl 2-[[cyclohexyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohexyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclohexyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohexyl-[(2-keto-7-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=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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