N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-cyclohexyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H32N2OS/c1-22-10-8-11-23(18-22)19-28-17-9-14-25(28)20-29(24-12-4-2-5-13-24)27(30)21-31-26-15-6-3-7-16-26/h3,6-11,14-18,24H,2,4-5,12-13,19-21H2,1H3