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

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-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)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC(=C3)OC)OC

InChI

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