2-(1,3-benzothiazol-2-yl)-4-(2-oxidanylideneethyl)-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(2-oxidanylideneethyl)-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(2-oxoethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamidine hydrochloride CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(2-oxoethyl)-2-(phenoxymethyl)-5-benzimidazolecarboximidamide hydrochloride IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(2-oxoethyl)-2-(phenoxymethyl)benzimidazole-5-carboximidamide hydrochloride Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(2-ketoethyl)-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(N=C3C=CC(=C(C3=N2)CC=O)C(=N)N)C4=NC5=CC=CC=C5S4.Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2(N=C3C=CC(=C(C3=N2)CC=O)C(=N)N)C4=NC5=CC=CC=C5S4.Cl

InChI

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