methyl N'-(4-bromophenyl)carbonyl-N-(2,6-diethylphenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(4-bromophenyl)carbonyl-N-(2,6-diethylphenyl)carbamimidothioate hydroiodide Openeye Name: 4-bromo-N-[(2,6-diethylanilino)-methylsulfanyl-methylene]benzamide hydroiodide CAS Name: N'-[(4-bromophenyl)-oxomethyl]-N-(2,6-diethylphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-bromobenzoyl)-N-(2,6-diethylphenyl)carbamimidothioate hydroiodide Traditional Name: 4-bromo-N-[(2,6-diethylanilino)-(methylthio)methylene]benzamide hydroiodide Formula: C19H22BrIN2OS MolecularWeight: 533.26425

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=NC(=O)C2=CC=C(C=C2)Br)SC.I

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=NC(=O)C2=CC=C(C=C2)Br)SC.I

InChI

InChI=1S/C19H21BrN2OS.HI/c1-4-13-7-6-8-14(5-2)17(13)21-19(24-3)22-18(23)15-9-11-16(20)12-10-15;/h6-12H,4-5H2,1-3H3,(H,21,22,23);1H