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

Systemtic Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(4-methylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide Traditional Name: 2-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=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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