N-(2,5-dimethylphenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H21N3OS/c1-11-4-5-12(2)14(10-11)16-15(20)18-8-6-17(7-9-18)13(3)19/h4-5,10H,6-9H2,1-3H3,(H,16,20)