N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-butanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenyl-butanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-phenyl-butanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenylbutanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenylbutanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-phenyl-butyramide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C28H27N3O4S/c1-4-21(18-8-6-5-7-9-18)27(32)31-28(36)30-19-10-12-20(13-11-19)35-24-14-15-29-23-17-26(34-3)25(33-2)16-22(23)24/h5-17,21H,4H2,1-3H3,(H2,30,31,32,36)