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

Systemtic Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-heptyl-1-[(4-propylphenyl)methyl]urea Openeye Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-1-heptyl-1-[(4-propylphenyl)methyl]urea CAS Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-1-heptyl-1-[(4-propylphenyl)methyl]urea IUPAC Name: 3-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-1-heptyl-1-[(4-propylphenyl)methyl]urea Traditional Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-1-heptyl-1-(4-propylbenzyl)urea Formula: C28H43N3OS2 MolecularWeight: 501.79052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC)C(=O)NC2=C(N=C(C=C2SCC)C)SCC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC)C(=O)NC2=C(N=C(C=C2SCC)C)SCC

InChI

InChI=1S/C28H43N3OS2/c1-6-10-11-12-13-19-31(21-24-17-15-23(14-7-2)16-18-24)28(32)30-26-25(33-8-3)20-22(5)29-27(26)34-9-4/h15-18,20H,6-14,19,21H2,1-5H3,(H,30,32)