S-(5-phenylimino-1,2-dithiol-3-yl) 4-ethanoylpiperazine-1-carbothioate hydroiodide

Systemtic Name: S-(5-phenylimino-1,2-dithiol-3-yl) 4-ethanoylpiperazine-1-carbothioate hydroiodide Openeye Name: S-(5-phenyliminodithiol-3-yl) 4-acetylpiperazine-1-carbothioate hydroiodide CAS Name: 4-acetyl-1-piperazinecarbothioic acid S-(5-phenylimino-3-dithiolyl) ester hydroiodide IUPAC Name: S-(5-phenyliminodithiol-3-yl) 4-acetylpiperazine-1-carbothioate hydroiodide Traditional Name: 4-acetylpiperazine-1-carbothioic acid S-(5-phenyliminodithiol-3-yl) ester hydroiodide Formula: C16H18IN3O2S3 MolecularWeight: 507.43249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)SC2=CC(=NC3=CC=CC=C3)SS2.I

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)SC2=CC(=NC3=CC=CC=C3)SS2.I

InChI

InChI=1S/C16H17N3O2S3.HI/c1-12(20)18-7-9-19(10-8-18)16(21)22-15-11-14(23-24-15)17-13-5-3-2-4-6-13;/h2-6,11H,7-10H2,1H3;1H