1-[2-(2,3-dimethoxyphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea

Systemtic Name: 1-[2-(2,3-dimethoxyphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea Openeye Name: 1-[2-(2,3-dimethoxyphenyl)heptyl]-3-(6-methylsulfanyl-5-quinolyl)urea CAS Name: 1-[2-(2,3-dimethoxyphenyl)heptyl]-3-[6-(methylthio)-5-quinolinyl]urea IUPAC Name: 1-[2-(2,3-dimethoxyphenyl)heptyl]-3-(6-methylsulfanylquinolin-5-yl)urea Traditional Name: 1-[2-(2,3-dimethoxyphenyl)heptyl]-3-[6-(methylthio)-5-quinolyl]urea Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCCCCC(CNC(=O)NC1=C(C=CC2=C1C=CC=N2)SC)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C26H33N3O3S/c1-5-6-7-10-18(19-11-8-13-22(31-2)25(19)32-3)17-28-26(30)29-24-20-12-9-16-27-21(20)14-15-23(24)33-4/h8-9,11-16,18H,5-7,10,17H2,1-4H3,(H2,28,29,30)