methyl 2-[[cyclohexyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclohexyl-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohexyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclohexyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohexyl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H31N3O3S/c1-17-13-14-18(2)24-22(17)15-19(25(31)29-24)16-30(20-9-5-4-6-10-20)27(34)28-23-12-8-7-11-21(23)26(32)33-3/h7-8,11-15,20H,4-6,9-10,16H2,1-3H3,(H,28,34)(H,29,31)