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

Systemtic Name: N-(3,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-15-5-7-19(13-17(15)3)22-21(27)23-9-11-24(12-10-23)28(25,26)20-8-6-16(2)18(4)14-20/h5-8,13-14H,9-12H2,1-4H3,(H,22,27)