N-[5-azanyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzamide chloride

Systemtic Name: N-[5-azanyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzamide chloride Openeye Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride CAS Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride IUPAC Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride Traditional Name: N-[2-amino-4-keto-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-pyrrolin-1-yl]benzamide chloride Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4)N.[Cl-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4)N.[Cl-]

InChI

InChI=1S/C19H16N4O2S.ClH/c1-22-13-9-5-6-10-15(13)26-19(22)16-14(24)11-23(17(16)20)21-18(25)12-7-3-2-4-8-12;/h2-10,20H,11H2,1H3,(H,21,25);1H