1-[2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]-2-(phenoxymethyl)benzimidazole-5-carboxamidine hydrochloride CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-2-(phenoxymethyl)-5-benzimidazolecarboximidamide hydrochloride IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]-2-(phenoxymethyl)benzimidazole-5-carboxamidine hydrochloride Formula: C24H20ClN5O2S MolecularWeight: 477.9659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC3=C(N2CC(=O)C4=NC5=CC=CC=C5S4)C=CC(=C3)C(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC3=C(N2CC(=O)C4=NC5=CC=CC=C5S4)C=CC(=C3)C(=N)N.Cl

InChI

InChI=1S/C24H19N5O2S.ClH/c25-23(26)15-10-11-19-18(12-15)27-22(14-31-16-6-2-1-3-7-16)29(19)13-20(30)24-28-17-8-4-5-9-21(17)32-24;/h1-12H,13-14H2,(H3,25,26);1H