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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(2,5-dimethylbenzyl)-6-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)nicotinamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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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=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S2/c1-14-4-5-15(2)17(10-14)13-26-12-16(6-9-21(26)27)22(28)25-23-24-19-8-7-18(32(3,29)30)11-20(19)31-23/h4-12H,13H2,1-3H3,(H,24,25,28)