3-(4-tert-butylphenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide

Systemtic Name: 3-(4-tert-butylphenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide Openeye Name: 3-(4-tert-butylphenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide CAS Name: 3-[(4-tert-butylphenyl)thio]-N-phenethyl-3-(2-pyrrolidinyl)propanamide IUPAC Name: 3-(4-tert-butylphenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-ylpropanamide Traditional Name: 3-[(4-tert-butylphenyl)thio]-N-phenethyl-3-pyrrolidin-2-yl-propionamide Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CC(=O)NCCC2=CC=CC=C2)C3CCCN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CC(=O)NCCC2=CC=CC=C2)C3CCCN3

InChI

InChI=1S/C25H34N2OS/c1-25(2,3)20-11-13-21(14-12-20)29-23(22-10-7-16-26-22)18-24(28)27-17-15-19-8-5-4-6-9-19/h4-6,8-9,11-14,22-23,26H,7,10,15-18H2,1-3H3,(H,27,28)