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

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 2-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 2-(phenylmethylthio)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 2-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 2-(benzylthio)-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-18(26-17-21-7-3-2-4-8-21)22(25)23-15-19-9-11-20(12-10-19)16-24-13-5-6-14-24/h2-4,7-12,18H,5-6,13-17H2,1H3,(H,23,25)