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

Systemtic Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-butyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-butyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-2-(phenylthio)acetamide Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C25H30N2OS/c1-3-4-16-27(25(28)20-29-24-14-6-5-7-15-24)19-23-13-10-17-26(23)18-22-12-9-8-11-21(22)2/h5-15,17H,3-4,16,18-20H2,1-2H3