methyl N-(4-ethoxyphenyl)-N'-(phenylcarbonyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N-(4-ethoxyphenyl)-N'-(phenylcarbonyl)carbamimidothioate hydroiodide Openeye Name: N-[(4-ethoxyanilino)-methylsulfanyl-methylene]benzamide hydroiodide CAS Name: N'-benzoyl-N-(4-ethoxyphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-benzoyl-N-(4-ethoxyphenyl)carbamimidothioate hydroiodide Traditional Name: N-[(methylthio)-(p-phenetidino)methylene]benzamide hydroiodide Formula: C17H19IN2O2S MolecularWeight: 442.31443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)SC.I

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)SC.I

InChI

InChI=1S/C17H18N2O2S.HI/c1-3-21-15-11-9-14(10-12-15)18-17(22-2)19-16(20)13-7-5-4-6-8-13;/h4-12H,3H2,1-2H3,(H,18,19,20);1H