1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-cyclohexyl-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-cyclohexyl-1-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-3-[4-(methylthio)phenyl]urea Formula: C26H30FN3OS MolecularWeight: 451.599303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC(=CC=C3)F)C4CCCCC4

InChI

InChI=1S/C26H30FN3OS/c1-32-25-14-12-22(13-15-25)28-26(31)30(23-9-3-2-4-10-23)19-24-11-6-16-29(24)18-20-7-5-8-21(27)17-20/h5-8,11-17,23H,2-4,9-10,18-19H2,1H3,(H,28,31)