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

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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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

Isomeric SMILES

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

InChI

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