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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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