N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-mesyl-piperazine-1-carbothioamide Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H17N3O4S2/c1-22(17,18)16-6-4-15(5-7-16)13(21)14-10-2-3-11-12(8-10)20-9-19-11/h2-3,8H,4-7,9H2,1H3,(H,14,21)