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

Systemtic Name: methyl 2-[[(4-fluorophenyl)methyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(4-fluorophenyl)methyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(4-fluorophenyl)methyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-fluorophenyl)methyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(4-fluorobenzyl)-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C27H24FN3O4S/c1-34-21-11-12-23-18(14-21)13-19(25(32)29-23)16-31(15-17-7-9-20(28)10-8-17)27(36)30-24-6-4-3-5-22(24)26(33)35-2/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,36)