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

Systemtic Name: 4-methylsulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: 4-methylsulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-mesyl-piperazine-1-carbothioamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O2S2/c1-20(17,18)16-9-7-15(8-10-16)13(19)14-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,14,19)