N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

InChI

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