N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-5-phenyl-pentanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-5-phenyl-pentanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-5-phenyl-pentanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-5-phenylpentanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-5-phenylpentanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-5-phenyl-valeramide Formula: C29H28ClN3O4S MolecularWeight: 550.06832

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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)CCCCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CCCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H28ClN3O4S/c1-35-26-17-21-23(18-27(26)36-2)31-15-14-24(21)37-25-13-12-20(16-22(25)30)32-29(38)33-28(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-18H,6-7,10-11H2,1-2H3,(H2,32,33,34,38)