N-[(4-methylphenyl)methyl]-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: 4-methylsulfonyl-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[(4-methylphenyl)methyl]-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-12-3-5-13(6-4-12)11-15-14(20)16-7-9-17(10-8-16)21(2,18)19/h3-6H,7-11H2,1-2H3,(H,15,20)