(2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(piperonylthiocarbamoyl)pyrrolidine-2-carboxamide Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c15-13(18)10-2-1-5-17(10)14(21)16-7-9-3-4-11-12(6-9)20-8-19-11/h3-4,6,10H,1-2,5,7-8H2,(H2,15,18)(H,16,21)/t10-/m1/s1