2-(1,3-benzothiazol-2-ylsulfanyl)ethyl carbamimidothioate hydrochloride

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl carbamimidothioate hydrochloride Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid 2-(1,3-benzothiazol-2-ylthio)ethyl ester hydrochloride IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl carbamimidothioate hydrochloride Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethyl]isothiourea hydrochloride Formula: C10H12ClN3S3 MolecularWeight: 305.87038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCSC(=N)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCSC(=N)N.Cl

InChI

InChI=1S/C10H11N3S3.ClH/c11-9(12)14-5-6-15-10-13-7-3-1-2-4-8(7)16-10;/h1-4H,5-6H2,(H3,11,12);1H