N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-(2-nitrophenyl)ethanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-(2-nitrophenyl)ethanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-(2-nitrophenyl)acetamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-(2-nitrophenyl)acetamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(2-nitrophenyl)acetamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-(2-nitrophenyl)acetamide Formula: C26H21ClN4O6S MolecularWeight: 552.98614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C26H21ClN4O6S/c1-35-23-13-17-19(14-24(23)36-2)28-10-9-21(17)37-22-8-7-16(12-18(22)27)29-26(38)30-25(32)11-15-5-3-4-6-20(15)31(33)34/h3-10,12-14H,11H2,1-2H3,(H2,29,30,32,38)