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

Systemtic Name: N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-cyclohexyl-N-[(1-m-anisylpyrrol-2-yl)methyl]-2-(phenylthio)acetamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2S/c1-31-25-14-8-10-22(18-25)19-28-17-9-13-24(28)20-29(23-11-4-2-5-12-23)27(30)21-32-26-15-6-3-7-16-26/h3,6-10,13-18,23H,2,4-5,11-12,19-21H2,1H3