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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-thienyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-yl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide Traditional Name: (2R)-N-piperonyl-2-(2-thienyl)pyrrolidine-1-carbothioamide Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C17H18N2O2S2/c22-17(19-7-1-3-13(19)16-4-2-8-23-16)18-10-12-5-6-14-15(9-12)21-11-20-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,18,22)/t13-/m1/s1