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

Systemtic Name: ethyl 4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H20ClN3O3S/c1-2-33-25(32)17-9-13-19(14-10-17)28-26(34)30-24(31)21-15-23(16-7-11-18(27)12-8-16)29-22-6-4-3-5-20(21)22/h3-15H,2H2,1H3,(H2,28,30,31,34)