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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylbenzyl)-2-keto-nicotinamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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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=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C(C2=O)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O2S/c1-14-9-10-15(2)16(12-14)13-25-11-5-6-17(21(25)27)20(26)24-22-23-18-7-3-4-8-19(18)28-22/h3-12H,13H2,1-2H3,(H,23,24,26)