1-[(3,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(3,5-dimethoxybenzyl)-6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18N4O6S/c1-31-16-7-13(8-17(10-16)32-2)11-25-12-14(3-6-20(25)27)21(28)24-22-23-18-5-4-15(26(29)30)9-19(18)33-22/h3-10,12H,11H2,1-2H3,(H,23,24,28)