4-ethanoyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C15H21N3OS2 MolecularWeight: 323.47674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C15H21N3OS2/c1-13(19)17-8-10-18(11-9-17)15(20)16-7-12-21-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,16,20)