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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(3,5-dimethoxybenzyl)-6-keto-nicotinamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H19N3O4S/c1-28-16-9-14(10-17(11-16)29-2)12-25-13-15(7-8-20(25)26)21(27)24-22-23-18-5-3-4-6-19(18)30-22/h3-11,13H,12H2,1-2H3,(H,23,24,27)