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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-octyl-benzamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-octyl-benzamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-octylbenzamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-octylbenzamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-octyl-benzamide Formula: C33H36ClN3O4S MolecularWeight: 606.17464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

InChI

InChI=1S/C33H36ClN3O4S/c1-4-5-6-7-8-9-10-22-11-13-23(14-12-22)32(38)37-33(42)36-24-15-16-29(26(34)19-24)41-28-17-18-35-27-21-31(40-3)30(39-2)20-25(27)28/h11-21H,4-10H2,1-3H3,(H2,36,37,38,42)