ethyl 3-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3S/c1-2-32-25(31)18-11-8-12-19(15-18)27-26(33)29-24(30)21-16-23(17-9-4-3-5-10-17)28-22-14-7-6-13-20(21)22/h3-16H,2H2,1H3,(H2,27,29,30,33)