2-[[2-(dimethylamino)ethanoylamino]-pyridin-4-yl-methyl]sulfanyl-N-(3-methylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[[2-(dimethylamino)ethanoylamino]-pyridin-4-yl-methyl]sulfanyl-N-(3-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[[2-(dimethylamino)acetyl]amino]-(4-pyridyl)methyl]sulfanyl-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[[[2-(dimethylamino)-1-oxoethyl]amino]-pyridin-4-ylmethyl]thio]-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[[2-(dimethylamino)acetyl]amino]-pyridin-4-ylmethyl]sulfanyl-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[[[2-(dimethylamino)acetyl]amino]-(4-pyridyl)methyl]thio]-N-(m-tolyl)nicotinamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-16-6-4-7-18(14-16)26-21(30)19-8-5-11-25-23(19)31-22(17-9-12-24-13-10-17)27-20(29)15-28(2)3/h4-14,22H,15H2,1-3H3,(H,26,30)(H,27,29)