3-oxidanylidene-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 3-oxidanylidene-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 3-oxo-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 3-oxo-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 3-oxo-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 3-keto-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C13H17N3OS2 MolecularWeight: 295.42358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NCCSC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NCCSC2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS2/c17-12-10-16(8-6-14-12)13(18)15-7-9-19-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,17)(H,15,18)