(2-morpholin-4-yl-2-oxidanylidene-ethyl) N'-phenylcarbamimidothioate hydrochloride

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) N'-phenylcarbamimidothioate hydrochloride Openeye Name: 2-(2-morpholino-2-oxo-ethyl)-3-phenyl-isothiourea hydrochloride CAS Name: N'-phenylcarbamimidothioic acid [2-(4-morpholinyl)-2-oxoethyl] ester hydrochloride IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) N'-phenylcarbamimidothioate hydrochloride Traditional Name: 2-(2-keto-2-morpholino-ethyl)-3-phenyl-isothiourea hydrochloride Formula: C13H18ClN3O2S MolecularWeight: 315.81892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC(=NC2=CC=CC=C2)N.Cl

Isomeric SMILES

C1COCCN1C(=O)CSC(=NC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C13H17N3O2S.ClH/c14-13(15-11-4-2-1-3-5-11)19-10-12(17)16-6-8-18-9-7-16;/h1-5H,6-10H2,(H2,14,15);1H