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

Systemtic Name: [2-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]amino]-2-oxidanylidene-ethyl]-trimethyl-azanium iodide Openeye Name: [2-[2-(ethoxycarbonylcarbamothioylamino)anilino]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [2-[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-2-oxoethyl]-trimethylammonium iodide IUPAC Name: [2-[2-(ethoxycarbonylcarbamothioylamino)anilino]-2-oxoethyl]-trimethylazanium iodide Traditional Name: [2-[2-(carbethoxythiocarbamoylamino)anilino]-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C15H23IN4O3S MolecularWeight: 466.33759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S.HI/c1-5-22-15(21)18-14(23)17-12-9-7-6-8-11(12)16-13(20)10-19(2,3)4;/h6-9H,5,10H2,1-4H3,(H2-,16,17,18,20,21,23);1H