4-(2,5-dimethylphenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(p-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(p-tolyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-15-5-8-18(9-6-15)21-20(26)22-10-12-23(13-11-22)27(24,25)19-14-16(2)4-7-17(19)3/h4-9,14H,10-13H2,1-3H3,(H,21,26)