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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N3OS2/c1-7-10-11-12-13-18-31(20-23-14-16-24(17-15-23)21(4)5)28(32)30-26-25(33-8-2)19-22(6)29-27(26)34-9-3/h14-17,19,21H,7-13,18,20H2,1-6H3,(H,30,32)