4-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: N-(2-phenylsulfanylethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S3 MolecularWeight: 435.6264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S3/c1-17-7-9-19(10-8-17)28(24,25)23-14-12-22(13-15-23)20(26)21-11-16-27-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,26)