methyl 4-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-31-24(30)17-11-13-18(14-12-17)26-25(32)28-23(29)20-15-22(16-7-3-2-4-8-16)27-21-10-6-5-9-19(20)21/h2-15H,1H3,(H2,26,28,29,32)