2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxyethyl carbamimidothioate hydrochloride

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxyethyl carbamimidothioate hydrochloride Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)oxyethyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid 2-[(1,3-dioxo-2-isoindolyl)oxy]ethyl ester hydrochloride IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)oxyethyl carbamimidothioate hydrochloride Traditional Name: 2-(2-phthalimidooxyethyl)isothiourea hydrochloride Formula: C11H12ClN3O3S MolecularWeight: 301.74928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)OCCSC(=N)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)OCCSC(=N)N.Cl

InChI

InChI=1S/C11H11N3O3S.ClH/c12-11(13)18-6-5-17-14-9(15)7-3-1-2-4-8(7)10(14)16;/h1-4H,5-6H2,(H3,12,13);1H