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

Systemtic Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(p-tolylmethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-methylbenzyl)-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O2S2/c1-16-3-7-18(8-4-16)15-21-20(26)22-11-13-23(14-12-22)27(24,25)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,21,26)