3-tert-butylsulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide

Systemtic Name: 3-tert-butylsulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide Openeye Name: 3-tert-butylsulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide CAS Name: 3-(tert-butylthio)-N-phenethyl-3-(2-pyrrolidinyl)propanamide IUPAC Name: 3-tert-butylsulfanyl-N-phenethyl-3-pyrrolidin-2-ylpropanamide Traditional Name: 3-(tert-butylthio)-N-phenethyl-3-pyrrolidin-2-yl-propionamide Formula: C19H30N2OS MolecularWeight: 334.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CC(=O)NCCC1=CC=CC=C1)C2CCCN2

Isomeric SMILES

CC(C)(C)SC(CC(=O)NCCC1=CC=CC=C1)C2CCCN2

InChI

InChI=1S/C19H30N2OS/c1-19(2,3)23-17(16-10-7-12-20-16)14-18(22)21-13-11-15-8-5-4-6-9-15/h4-6,8-9,16-17,20H,7,10-14H2,1-3H3,(H,21,22)