2-bromanylethanoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Systemtic Name: 2-bromanylethanoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide Openeye Name: 2-bromoacetic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide CAS Name: 2-bromoacetic acid; (2S)-N-[(1R)-1-phenylethyl]-2-pyrrolidinecarbothioamide IUPAC Name: 2-bromoacetic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide Traditional Name: 2-bromoacetic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide Formula: C15H21BrN2O2S MolecularWeight: 373.30844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)C2CCCN2.C(C(=O)O)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=S)[C@@H]2CCCN2.C(C(=O)O)Br

InChI

InChI=1S/C13H18N2S.C2H3BrO2/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12;3-1-2(4)5/h2-4,6-7,10,12,14H,5,8-9H2,1H3,(H,15,16);1H2,(H,4,5)/t10-,12+;/m1./s1