N-methyl-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-besyl-N-methyl-piperazine-1-carbothioamide Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H17N3O2S2/c1-13-12(18)14-7-9-15(10-8-14)19(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,18)