2-[[2-(2-chloranylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-chloranylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-chloroacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-[(2-chloro-1-oxoethyl)amino]-4-pyridinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-chloroacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[(2-chloroacetyl)amino]-4-pyridyl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CCl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CCl)C

InChI

InChI=1S/C22H21ClN4O2S/c1-14-8-15(2)10-17(9-14)26-21(29)18-4-3-6-25-22(18)30-13-16-5-7-24-19(11-16)27-20(28)12-23/h3-11H,12-13H2,1-2H3,(H,26,29)(H,24,27,28)