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

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-26-16-4-6-19(7-5-16)30(24,25)23-10-8-22(9-11-23)20(29)21-15-12-17(27-2)14-18(13-15)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,29)