N-(4-chlorophenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C12H16ClN3O2S2 MolecularWeight: 333.85734

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN3O2S2/c1-20(17,18)16-8-6-15(7-9-16)12(19)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,19)