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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-cyclohexyl-benzamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-cyclohexyl-benzamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-cyclohexylbenzamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-cyclohexylbenzamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-cyclohexyl-benzamide Formula: C31H30ClN3O4S MolecularWeight: 576.1056

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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)C4=CC=C(C=C4)C5CCCCC5)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C5CCCCC5)Cl

InChI

InChI=1S/C31H30ClN3O4S/c1-37-28-17-23-25(18-29(28)38-2)33-15-14-26(23)39-27-13-12-22(16-24(27)32)34-31(40)35-30(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h8-19H,3-7H2,1-2H3,(H2,34,35,36,40)