methyl 4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H18ClN3O3S/c1-32-24(31)16-8-12-18(13-9-16)27-25(33)29-23(30)20-14-22(15-6-10-17(26)11-7-15)28-21-5-3-2-4-19(20)21/h2-14H,1H3,(H2,27,29,30,33)