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

Systemtic Name: N-(4-ethanoylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(benzenesulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(benzenesulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-(benzenesulfonyl)piperazine-1-carbothioamide Traditional Name: N-(4-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=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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