(2R)-2-(1,3-benzothiazol-2-yl)-N-(3-methylsulfanylpropyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-methylsulfanylpropyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-methylsulfanylpropyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[3-(methylthio)propyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(3-methylsulfanylpropyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[3-(methylthio)propyl]pyrrolidine-1-carbothioamide Formula: C16H21N3S3 MolecularWeight: 351.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CSCCCNC(=S)N1CCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3S3/c1-21-11-5-9-17-16(20)19-10-4-7-13(19)15-18-12-6-2-3-8-14(12)22-15/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,17,20)/t13-/m1/s1