N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-5-bromanyl-2-methoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]-5-bromo-2-methoxy-benzamide Formula: C21H16BrN2O3S+ MolecularWeight: 456.33234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=C(C=C2)C3=[NH+]C4=CC=CC=C4S3)O

InChI

InChI=1S/C21H15BrN2O3S/c1-27-18-9-6-12(22)10-15(18)20(26)23-13-7-8-14(17(25)11-13)21-24-16-4-2-3-5-19(16)28-21/h2-11,25H,1H3,(H,23,26)/p+1