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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(3-methylphenyl)octyl]urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(m-tolyl)octyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(3-methylphenyl)octyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(3-methylphenyl)octyl]urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(m-tolyl)octyl]urea Formula: C24H35N3OS2 MolecularWeight: 445.6842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3OS2/c1-6-7-8-9-12-20(19-13-10-11-17(2)14-19)16-25-24(28)27-22-21(29-4)15-18(3)26-23(22)30-5/h10-11,13-15,20H,6-9,12,16H2,1-5H3,(H2,25,27,28)