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

Systemtic Name: 3-(4-acetamidophenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide Openeye Name: 3-(4-acetamidophenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-yl-propanamide CAS Name: 3-[(4-acetamidophenyl)thio]-N-phenethyl-3-(2-pyrrolidinyl)propanamide IUPAC Name: 3-(4-acetamidophenyl)sulfanyl-N-phenethyl-3-pyrrolidin-2-ylpropanamide Traditional Name: 3-[(4-acetamidophenyl)thio]-N-phenethyl-3-pyrrolidin-2-yl-propionamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC(CC(=O)NCCC2=CC=CC=C2)C3CCCN3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC(CC(=O)NCCC2=CC=CC=C2)C3CCCN3

InChI

InChI=1S/C23H29N3O2S/c1-17(27)26-19-9-11-20(12-10-19)29-22(21-8-5-14-24-21)16-23(28)25-15-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,21-22,24H,5,8,13-16H2,1H3,(H,25,28)(H,26,27)