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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-methylphenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(o-tolyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-methylanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-methylphenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(o-tolyl)thiocarbamoyl]-3-methyl-benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)N(C2=CC=CC=C2C)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)N(C2=CC=CC=C2C)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C27H25N3O4S/c1-17-8-7-10-19(14-17)26(31)29-27(35)30(22-11-6-5-9-18(22)2)34-23-12-13-28-21-16-25(33-4)24(32-3)15-20(21)23/h5-16H,1-4H3,(H,29,31,35)