N-(3-ethanoylphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c1-15(24)16-4-3-5-17(14-16)21-20(28)22-10-12-23(13-11-22)29(25,26)19-8-6-18(27-2)7-9-19/h3-9,14H,10-13H2,1-2H3,(H,21,28)