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

Systemtic Name: butyl 4-[(2-phenylquinolin-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-phenylquinoline-4-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S/c1-2-3-17-34-27(33)20-13-15-21(16-14-20)29-28(35)31-26(32)23-18-25(19-9-5-4-6-10-19)30-24-12-8-7-11-22(23)24/h4-16,18H,2-3,17H2,1H3,(H2,29,31,32,35)