(2-phenyl-1,3-thiazol-4-yl)methyl N,N'-dimethylcarbamimidothioate hydrochloride

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl N,N'-dimethylcarbamimidothioate hydrochloride Openeye Name: 1,3-dimethyl-2-[(2-phenylthiazol-4-yl)methyl]isothiourea hydrochloride CAS Name: N,N'-dimethylcarbamimidothioic acid (2-phenyl-4-thiazolyl)methyl ester hydrochloride IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl N,N'-dimethylcarbamimidothioate hydrochloride Traditional Name: 1,3-dimethyl-2-[(2-phenylthiazol-4-yl)methyl]isothiourea hydrochloride Formula: C13H16ClN3S2 MolecularWeight: 313.86924

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SCC1=CSC(=N1)C2=CC=CC=C2.Cl

Isomeric SMILES

CNC(=NC)SCC1=CSC(=N1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C13H15N3S2.ClH/c1-14-13(15-2)18-9-11-8-17-12(16-11)10-6-4-3-5-7-10;/h3-8H,9H2,1-2H3,(H,14,15);1H