N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-phenylsulfanyl-propanamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(phenylthio)propanamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylsulfanylpropanamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(phenylthio)propionamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(C1=CC(=CC=C1)OC)N2CCCC2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC(C1=CC(=CC=C1)OC)N2CCCC2)SC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2S/c1-17(27-20-11-4-3-5-12-20)22(25)23-16-21(24-13-6-7-14-24)18-9-8-10-19(15-18)26-2/h3-5,8-12,15,17,21H,6-7,13-14,16H2,1-2H3,(H,23,25)