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

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(4-fluorobenzyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C28H26FN3O4S/c1-3-36-22-12-13-24-19(15-22)14-20(26(33)30-24)17-32(16-18-8-10-21(29)11-9-18)28(37)31-25-7-5-4-6-23(25)27(34)35-2/h4-15H,3,16-17H2,1-2H3,(H,30,33)(H,31,37)