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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-nitrophenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-nitrophenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-nitroanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-nitrophenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-nitrophenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O6S/c1-16-7-6-8-17(13-16)25(31)28-26(37)29(20-9-4-5-10-21(20)30(32)33)36-22-11-12-27-19-15-24(35-3)23(34-2)14-18(19)22/h4-15H,1-3H3,(H,28,31,37)