[10,10-bis(oxidanylidene)phenoxathiin-2-yl]methyl carbamimidothioate hydrochloride

Systemtic Name: [10,10-bis(oxidanylidene)phenoxathiin-2-yl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[(10,10-dioxophenoxathiin-2-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (10,10-dioxo-2-phenoxathiinyl)methyl ester hydrochloride IUPAC Name: (10,10-dioxophenoxathiin-2-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(10,10-diketophenoxathiin-2-yl)methyl]isothiourea hydrochloride Formula: C14H13ClN2O3S2 MolecularWeight: 356.84762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)CSC(=N)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)CSC(=N)N.Cl

InChI

InChI=1S/C14H12N2O3S2.ClH/c15-14(16)20-8-9-5-6-11-13(7-9)21(17,18)12-4-2-1-3-10(12)19-11;/h1-7H,8H2,(H3,15,16);1H