(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-piperonyl-pyrrolidine-1-carbothioamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3O2S2/c26-20(21-11-13-7-8-16-17(10-13)25-12-24-16)23-9-3-5-15(23)19-22-14-4-1-2-6-18(14)27-19/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,21,26)/t15-/m1/s1