N-ethyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-ethyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-tosyl-piperazine-1-carbothioamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H21N3O2S2/c1-3-15-14(20)16-8-10-17(11-9-16)21(18,19)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,15,20)