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

Systemtic Name: N-butyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-tosyl-piperazine-1-carbothioamide Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S2/c1-3-4-9-17-16(22)18-10-12-19(13-11-18)23(20,21)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,17,22)