2-[(2-azanylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-azanylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[(2-aminoacetyl)amino]-(4-pyridyl)methyl]sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[[(2-amino-1-oxoethyl)amino]-pyridin-4-ylmethyl]thio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[(2-aminoacetyl)amino]-pyridin-4-ylmethyl]sulfanyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[(glycylamino)-(4-pyridyl)methyl]thio]nicotinamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN)C

InChI

InChI=1S/C22H23N5O2S/c1-14-10-15(2)12-17(11-14)26-20(29)18-4-3-7-25-22(18)30-21(27-19(28)13-23)16-5-8-24-9-6-16/h3-12,21H,13,23H2,1-2H3,(H,26,29)(H,27,28)