1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-(2-methylpyrimidin-5-yl)-3-methylsulfanyl-urea

Systemtic Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-(2-methylpyrimidin-5-yl)-3-methylsulfanyl-urea Openeye Name: 1-heptyl-1-[(4-isopentylphenyl)methyl]-3-(2-methylpyrimidin-5-yl)-3-methylsulfanyl-urea CAS Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-(2-methyl-5-pyrimidinyl)-3-(methylthio)urea IUPAC Name: 1-heptyl-1-[[4-(3-methylbutyl)phenyl]methyl]-3-(2-methylpyrimidin-5-yl)-3-methylsulfanylurea Traditional Name: 1-heptyl-1-(4-isoamylbenzyl)-3-(2-methylpyrimidin-5-yl)-3-(methylthio)urea Formula: C26H40N4OS MolecularWeight: 456.687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)N(C2=CN=C(N=C2)C)SC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)C)C(=O)N(C2=CN=C(N=C2)C)SC

InChI

InChI=1S/C26H40N4OS/c1-6-7-8-9-10-17-29(20-24-15-13-23(14-16-24)12-11-21(2)3)26(31)30(32-5)25-18-27-22(4)28-19-25/h13-16,18-19,21H,6-12,17,20H2,1-5H3