N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: 2-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-nitrobenzyl)nicotinamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CN(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=CN(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-13-4-2-6-17-18(13)22-21(30-17)23-19(26)16-5-3-11-24(20(16)27)12-14-7-9-15(10-8-14)25(28)29/h2-11H,12H2,1H3,(H,22,23,26)