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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-phenylbutanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-4-phenyl-butyramide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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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)CCCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-34-25-16-20-22(17-26(25)35-2)30-14-13-23(20)36-24-12-11-19(15-21(24)29)31-28(37)32-27(33)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-17H,6,9-10H2,1-2H3,(H2,31,32,33,37)