methyl 2-[[(4-fluorophenyl)methyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(4-fluorophenyl)methyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(4-fluorophenyl)methyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(4-fluorophenyl)methyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-fluorophenyl)methyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(4-fluorobenzyl)-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H24FN3O3S MolecularWeight: 489.561163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H24FN3O3S/c1-17-7-10-19-14-20(25(32)29-24(19)13-17)16-31(15-18-8-11-21(28)12-9-18)27(35)30-23-6-4-3-5-22(23)26(33)34-2/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,35)