4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-piperazine-1-carbothioamide Formula: C14H19N3O4S2 MolecularWeight: 357.44836

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H19N3O4S2/c1-15-14(22)16-4-6-17(7-5-16)23(18,19)11-2-3-12-13(10-11)21-9-8-20-12/h2-3,10H,4-9H2,1H3,(H,15,22)