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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitro-phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-nitro-phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-nitroanilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-nitrophenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-nitro-phenyl]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)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O6S/c1-15-5-4-6-16(11-15)25(31)29-26(37)28-19-8-7-17(12-21(19)30(32)33)36-22-9-10-27-20-14-24(35-3)23(34-2)13-18(20)22/h4-14H,1-3H3,(H2,28,29,31,37)