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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-pyridine-3-carboxamide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide Traditional Name: 1-(2,5-dimethylbenzyl)-2-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=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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