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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-methylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-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)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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