1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-1-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 6-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(4-methylbenzyl)nicotinamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H19N3O4S2/c1-14-3-5-15(6-4-14)12-25-13-16(7-10-20(25)26)21(27)24-22-23-18-9-8-17(31(2,28)29)11-19(18)30-22/h3-11,13H,12H2,1-2H3,(H,23,24,27)