N-[3,5-bis(chloranyl)phenyl]-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(3,5-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C13H15Cl2N3OS MolecularWeight: 332.2487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H15Cl2N3OS/c1-9(19)17-2-4-18(5-3-17)13(20)16-12-7-10(14)6-11(15)8-12/h6-8H,2-5H2,1H3,(H,16,20)