N-(2,3-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-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)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

InChI

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