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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2,3-dimethylanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2,3-dimethylphenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2,3-dimethylphenyl)thiocarbamoyl]-3-methyl-benzamide 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)C2=CC(=CC=C2)C)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-17-8-6-10-20(14-17)27(32)30-28(36)31(23-11-7-9-18(2)19(23)3)35-24-12-13-29-22-16-26(34-5)25(33-4)15-21(22)24/h6-16H,1-5H3,(H,30,32,36)