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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(2,5-dimethylbenzyl)-6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-13-3-4-14(2)16(9-13)12-25-11-15(5-8-20(25)27)21(28)24-22-23-18-7-6-17(26(29)30)10-19(18)31-22/h3-11H,12H2,1-2H3,(H,23,24,28)