N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-phenoxy-butanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-phenoxy-butanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-phenoxy-butanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenoxybutanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxybutanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-phenoxy-butyramide Formula: C28H26ClN3O5S MolecularWeight: 552.04114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(=S)NC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)Cl)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC(=S)NC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C28H26ClN3O5S/c1-4-22(36-18-8-6-5-7-9-18)27(33)32-28(38)31-17-10-11-24(20(29)14-17)37-23-12-13-30-21-16-26(35-3)25(34-2)15-19(21)23/h5-16,22H,4H2,1-3H3,(H2,31,32,33,38)