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

Systemtic Name: N-(3-ethanoylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C14H19N3O3S2 MolecularWeight: 341.44896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S2/c1-11(18)12-4-3-5-13(10-12)15-14(21)16-6-8-17(9-7-16)22(2,19)20/h3-5,10H,6-9H2,1-2H3,(H,15,21)