methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(4-fluorobenzyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H26FN3O3S MolecularWeight: 503.587743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H26FN3O3S/c1-3-18-10-13-24-20(14-18)15-21(26(33)30-24)17-32(16-19-8-11-22(29)12-9-19)28(36)31-25-7-5-4-6-23(25)27(34)35-2/h4-15H,3,16-17H2,1-2H3,(H,30,33)(H,31,36)