3-(4-methylsulfanylphenyl)-1-pentyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-pentyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Openeye Name: 3-(4-methylsulfanylphenyl)-1-pentyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-[4-(methylthio)phenyl]-1-pentyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 3-(4-methylsulfanylphenyl)-1-pentyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-amyl-3-[4-(methylthio)phenyl]-1-[[1-[3-(trifluoromethyl)benzyl]pyrrol-2-yl]methyl]urea Formula: C26H30F3N3OS MolecularWeight: 489.59611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H30F3N3OS/c1-3-4-5-15-32(25(33)30-22-11-13-24(34-2)14-12-22)19-23-10-7-16-31(23)18-20-8-6-9-21(17-20)26(27,28)29/h6-14,16-17H,3-5,15,18-19H2,1-2H3,(H,30,33)