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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-5-phenyl-pentanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-5-phenyl-pentanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-5-phenylpentanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-5-phenylpentanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-5-phenyl-valeramide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4S/c1-34-26-18-23-24(19-27(26)35-2)30-17-16-25(23)36-22-14-12-21(13-15-22)31-29(37)32-28(33)11-7-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-19H,6-7,10-11H2,1-2H3,(H2,31,32,33,37)