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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(3-methylphenyl)heptyl]urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(m-tolyl)heptyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(3-methylphenyl)heptyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-[2-(3-methylphenyl)heptyl]urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(m-tolyl)heptyl]urea Formula: C23H33N3OS2 MolecularWeight: 431.65762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3OS2/c1-6-7-8-11-19(18-12-9-10-16(2)13-18)15-24-23(27)26-21-20(28-4)14-17(3)25-22(21)29-5/h9-10,12-14,19H,6-8,11,15H2,1-5H3,(H2,24,26,27)