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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylbenzyl)-6-keto-nicotinamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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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=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)C(=O)NC3=NC4=CC=CC=C4S3

InChI

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