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

Systemtic Name: N-[5-azanyl-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-4-methoxy-benzamide Openeye Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]-4-methoxy-benzamide CAS Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]-4-methoxybenzamide IUPAC Name: N-[5-amino-4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]-4-methoxybenzamide Traditional Name: N-[2-amino-4-keto-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-pyrrolin-1-yl]-4-methoxy-benzamide Formula: C20H19N4O3S+ MolecularWeight: 395.45486

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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=C(C=C4)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-23-14-5-3-4-6-16(14)28-20(23)17-15(25)11-24(18(17)21)22-19(26)12-7-9-13(27-2)10-8-12/h3-10,21H,11H2,1-2H3,(H,22,26)/p+1