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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2,3-dimethyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-2,3-dimethyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2,3-dimethylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-2,3-dimethylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-2,3-dimethyl-benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

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