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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)OC

InChI

InChI=1S/C21H27N3O6S2/c1-27-15-5-7-17(19(13-15)30-4)22-21(31)23-9-11-24(12-10-23)32(25,26)20-14-16(28-2)6-8-18(20)29-3/h5-8,13-14H,9-12H2,1-4H3,(H,22,31)