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

Systemtic Name: methyl 2-[[cyclohexyl-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclohexyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohexyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H31N3O4S/c1-3-34-21-13-14-23-18(16-21)15-19(25(31)28-23)17-30(20-9-5-4-6-10-20)27(35)29-24-12-8-7-11-22(24)26(32)33-2/h7-8,11-16,20H,3-6,9-10,17H2,1-2H3,(H,28,31)(H,29,35)