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

Systemtic Name: N-(3-ethanoylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H23N3O3S2/c1-15-6-8-19(9-7-15)28(25,26)23-12-10-22(11-13-23)20(27)21-18-5-3-4-17(14-18)16(2)24/h3-9,14H,10-13H2,1-2H3,(H,21,27)