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

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-butyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-butyl-pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-butyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-butylpyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-butyl-pyrrolidine-1-carbothioamide Formula: C16H21N3S2 MolecularWeight: 319.48804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3S2/c1-2-3-10-17-16(20)19-11-6-8-13(19)15-18-12-7-4-5-9-14(12)21-15/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3,(H,17,20)/t13-/m1/s1