(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-[2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-(2-pyrrolidinoethyl)propionamide Formula: C17H24BrN3O2S MolecularWeight: 414.36036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCCN2CCCC2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NCCN2CCCC2

InChI

InChI=1S/C17H24BrN3O2S/c1-13(22)20-16(12-24-15-6-4-5-14(18)11-15)17(23)19-7-10-21-8-2-3-9-21/h4-6,11,16H,2-3,7-10,12H2,1H3,(H,19,23)(H,20,22)/t16-/m1/s1