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

Systemtic Name: N-(3,4-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,4-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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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