N-methyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-tosyl-piperazine-1-carbothioamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC

InChI

InChI=1S/C13H19N3O2S2/c1-11-3-5-12(6-4-11)20(17,18)16-9-7-15(8-10-16)13(19)14-2/h3-6H,7-10H2,1-2H3,(H,14,19)