methyl N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-(4-chlorophenyl)carbonyl-N'-propyl-carbamimidothioate hydroiodide Openeye Name: 4-chloro-N-(C-methylsulfanyl-N-propyl-carbonimidoyl)benzamide hydroiodide CAS Name: N-[(4-chlorophenyl)-oxomethyl]-N'-propylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-(4-chlorobenzoyl)-N'-propylcarbamimidothioate hydroiodide Traditional Name: 4-chloro-N-[C-(methylthio)-N-propyl-carbonimidoyl]benzamide hydroiodide Formula: C12H16ClIN2OS MolecularWeight: 398.69071

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC.I

Isomeric SMILES

CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC.I

InChI

InChI=1S/C12H15ClN2OS.HI/c1-3-8-14-12(17-2)15-11(16)9-4-6-10(13)7-5-9;/h4-7H,3,8H2,1-2H3,(H,14,15,16);1H