N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-1-carbothioamide Traditional Name: N-piperonylpyrrolidine-1-carbothioamide Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O2S/c18-13(15-5-1-2-6-15)14-8-10-3-4-11-12(7-10)17-9-16-11/h3-4,7H,1-2,5-6,8-9H2,(H,14,18)