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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-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=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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