N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-phenyl-butanamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-4-phenylbutanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-4-phenyl-butyramide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC=CC=C3)C(=S)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC=CC=C3)C(=S)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-33-25-18-22-23(19-26(25)34-2)29-17-16-24(22)35-31(21-13-7-4-8-14-21)28(36)30-27(32)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,16-19H,9,12,15H2,1-2H3,(H,30,32,36)