[2-[[2-(methoxycarbonylcarbamothioylamino)phenyl]amino]-2-oxidanylidene-ethyl]-trimethyl-azanium iodide

Systemtic Name: [2-[[2-(methoxycarbonylcarbamothioylamino)phenyl]amino]-2-oxidanylidene-ethyl]-trimethyl-azanium iodide Openeye Name: [2-[2-(methoxycarbonylcarbamothioylamino)anilino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [2-[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-2-oxoethyl]-trimethylammonium iodide IUPAC Name: [2-[2-(methoxycarbonylcarbamothioylamino)anilino]-2-oxoethyl]-trimethylazanium iodide Traditional Name: [2-[2-(carbomethoxythiocarbamoylamino)anilino]-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C14H21IN4O3S MolecularWeight: 452.31101

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)CC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC.[I-]

InChI

InChI=1S/C14H20N4O3S.HI/c1-18(2,3)9-12(19)15-10-7-5-6-8-11(10)16-13(22)17-14(20)21-4;/h5-8H,9H2,1-4H3,(H2-,15,16,17,19,20,22);1H