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

Systemtic Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 2-(phenylthio)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 2-(phenylthio)-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)CN2CCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-17(25-20-7-3-2-4-8-20)21(24)22-15-18-9-11-19(12-10-18)16-23-13-5-6-14-23/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)