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

Systemtic Name: 2-[[2-[2-(dimethylamino)ethanoylamino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridyl]methylsulfanyl]-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-4-pyridinyl]methylthio]-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[[2-(dimethylamino)acetyl]amino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridyl]methylthio]-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)SCC3=CC(=NC=C3)NC(=O)CN(C)C

Isomeric SMILES

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

InChI

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