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

Systemtic Name: 4-chloranyl-N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]butyramide Formula: C22H21Cl2N3O4S MolecularWeight: 494.39084

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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)CCCCl)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CCCCl)Cl

InChI

InChI=1S/C22H21Cl2N3O4S/c1-29-19-11-14-16(12-20(19)30-2)25-9-7-17(14)31-18-6-5-13(10-15(18)24)26-22(32)27-21(28)4-3-8-23/h5-7,9-12H,3-4,8H2,1-2H3,(H2,26,27,28,32)