N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-ethyl-carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-ethyl-carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]-ethyl-carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-N-ethylanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-ethylcarbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]-ethyl-thiocarbamoyl]-2-phenyl-acetamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)C(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)C(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-4-31(28(36)30-27(32)16-19-8-6-5-7-9-19)20-10-12-21(13-11-20)35-24-14-15-29-23-18-26(34-3)25(33-2)17-22(23)24/h5-15,17-18H,4,16H2,1-3H3,(H,30,32,36)