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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-methylphenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(m-tolyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-methylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-methylphenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(m-tolyl)thiocarbamoyl]-4-nitro-benzamide Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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