N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-hexanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-hexanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-methyl-hexanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylhexanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylhexanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-methyl-hexanamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)NC(=S)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

Isomeric SMILES

CCCCC(C)C(=O)NC(=S)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

InChI

InChI=1S/C25H29N3O4S/c1-5-6-7-16(2)24(29)28-25(33)27-17-8-10-18(11-9-17)32-21-12-13-26-20-15-23(31-4)22(30-3)14-19(20)21/h8-16H,5-7H2,1-4H3,(H2,27,28,29,33)