3-[2-(4-methylphenyl)heptyl]-1-(6-methylpyridin-3-yl)-1-methylsulfanyl-urea

Systemtic Name: 3-[2-(4-methylphenyl)heptyl]-1-(6-methylpyridin-3-yl)-1-methylsulfanyl-urea Openeye Name: 1-(6-methyl-3-pyridyl)-1-methylsulfanyl-3-[2-(p-tolyl)heptyl]urea CAS Name: 3-[2-(4-methylphenyl)heptyl]-1-(6-methyl-3-pyridinyl)-1-(methylthio)urea IUPAC Name: 3-[2-(4-methylphenyl)heptyl]-1-(6-methylpyridin-3-yl)-1-methylsulfanylurea Traditional Name: 1-(6-methyl-3-pyridyl)-1-(methylthio)-3-[2-(p-tolyl)heptyl]urea Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)N(C1=CN=C(C=C1)C)SC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(CNC(=O)N(C1=CN=C(C=C1)C)SC)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31N3OS/c1-5-6-7-8-20(19-12-9-17(2)10-13-19)15-24-22(26)25(27-4)21-14-11-18(3)23-16-21/h9-14,16,20H,5-8,15H2,1-4H3,(H,24,26)