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

Systemtic Name: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN3O4S2/c1-26-14-7-8-17(27-2)18(13-14)29(24,25)23-11-9-22(10-12-23)19(28)21-16-6-4-3-5-15(16)20/h3-8,13H,9-12H2,1-2H3,(H,21,28)