N-(3-ethanoylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(benzenesulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(benzenesulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(benzenesulfonyl)piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-besyl-piperazine-1-carbothioamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S2/c1-15(23)16-6-5-7-17(14-16)20-19(26)21-10-12-22(13-11-21)27(24,25)18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3,(H,20,26)