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

Systemtic Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanyl-ethanamide Openeye Name: N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanyl-acetamide CAS Name: N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-pentyl-2-(phenylthio)acetamide IUPAC Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylsulfanylacetamide Traditional Name: N-amyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C26H32N2OS/c1-3-4-8-16-28(26(29)21-30-25-14-6-5-7-15-25)20-24-13-10-17-27(24)19-23-12-9-11-22(2)18-23/h5-7,9-15,17-18H,3-4,8,16,19-21H2,1-2H3