1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(2-methylphenyl)hexyl]urea

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(2-methylphenyl)hexyl]urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(o-tolyl)hexyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(2-methylphenyl)hexyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(2-methylphenyl)hexyl]urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(o-tolyl)hexyl]urea Formula: C22H31N3OS2 MolecularWeight: 417.63104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)NC1=C(N=C(C=C1SC)C)SC)C2=CC=CC=C2C

Isomeric SMILES

CCCCC(CNC(=O)NC1=C(N=C(C=C1SC)C)SC)C2=CC=CC=C2C

InChI

InChI=1S/C22H31N3OS2/c1-6-7-11-17(18-12-9-8-10-15(18)2)14-23-22(26)25-20-19(27-4)13-16(3)24-21(20)28-5/h8-10,12-13,17H,6-7,11,14H2,1-5H3,(H2,23,25,26)