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

Systemtic Name: 2-[[2-[2-(2-dimethylaminoethylamino)ethanoylamino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-pyridyl]methylsulfanyl]-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[[2-(2-dimethylaminoethylamino)-1-oxoethyl]amino]-4-pyridinyl]methylthio]-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-pyridyl]methylthio]-N-(m-tolyl)nicotinamide Formula: C25H30N6O2S MolecularWeight: 478.6097

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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)CNCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O2S/c1-18-6-4-7-20(14-18)29-24(33)21-8-5-10-28-25(21)34-17-19-9-11-27-22(15-19)30-23(32)16-26-12-13-31(2)3/h4-11,14-15,26H,12-13,16-17H2,1-3H3,(H,29,33)(H,27,30,32)