2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 2-(p-tolylsulfanyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 2-[(4-methylphenyl)thio]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 2-(p-tolylthio)-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H28N2OS/c1-17-5-11-21(12-6-17)26-18(2)22(25)23-15-19-7-9-20(10-8-19)16-24-13-3-4-14-24/h5-12,18H,3-4,13-16H2,1-2H3,(H,23,25)