4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-15-6-5-7-18(16(15)2)22-21(29)23-10-12-24(13-11-23)30(25,26)20-14-17(27-3)8-9-19(20)28-4/h5-9,14H,10-13H2,1-4H3,(H,22,29)