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

Systemtic Name: butyl 4-[[2-(4-chlorophenyl)quinolin-4-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C28H24ClN3O3S MolecularWeight: 518.02646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C28H24ClN3O3S/c1-2-3-16-35-27(34)19-10-14-21(15-11-19)30-28(36)32-26(33)23-17-25(18-8-12-20(29)13-9-18)31-24-7-5-4-6-22(23)24/h4-15,17H,2-3,16H2,1H3,(H2,30,32,33,36)