N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2,3-dimethylanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(C(=S)NC(=O)CC2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(C(=S)NC(=O)CC2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

InChI

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