methyl 2-[[cyclohexyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclohexyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohexyl-[(6-ethyl-2-keto-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:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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