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

Systemtic Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-heptyl-1-[(3-methyl-1-benzothiophen-2-yl)methyl]urea Openeye Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-1-heptyl-1-[(3-methylbenzothiophen-2-yl)methyl]urea CAS Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-1-heptyl-1-[(3-methyl-1-benzothiophen-2-yl)methyl]urea IUPAC Name: 3-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-1-heptyl-1-[(3-methyl-1-benzothiophen-2-yl)methyl]urea Traditional Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-1-heptyl-1-[(3-methylbenzothiophen-2-yl)methyl]urea Formula: C28H39N3OS3 MolecularWeight: 529.82376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=C(C2=CC=CC=C2S1)C)C(=O)NC3=C(N=C(C=C3SCC)C)SCC

Isomeric SMILES

CCCCCCCN(CC1=C(C2=CC=CC=C2S1)C)C(=O)NC3=C(N=C(C=C3SCC)C)SCC

InChI

InChI=1S/C28H39N3OS3/c1-6-9-10-11-14-17-31(19-25-21(5)22-15-12-13-16-23(22)35-25)28(32)30-26-24(33-7-2)18-20(4)29-27(26)34-8-3/h12-13,15-16,18H,6-11,14,17,19H2,1-5H3,(H,30,32)