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

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-15(25)16-5-4-6-17(13-16)22-21(30)23-9-11-24(12-10-23)31(26,27)20-14-18(28-2)7-8-19(20)29-3/h4-8,13-14H,9-12H2,1-3H3,(H,22,30)