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

Systemtic Name: 2-[[2-[2-(2-dimethylaminoethylamino)ethanoylamino]pyridin-4-yl]methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-pyridyl]methylsulfanyl]-N-(3-isopropylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-[[2-(2-dimethylaminoethylamino)-1-oxoethyl]amino]-4-pyridinyl]methylthio]-N-(3-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]pyridin-4-yl]methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[[2-(2-dimethylaminoethylamino)acetyl]amino]-4-pyridyl]methylthio]-N-m-cumenyl-nicotinamide Formula: C27H34N6O2S MolecularWeight: 506.66286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O2S/c1-19(2)21-7-5-8-22(16-21)31-26(35)23-9-6-11-30-27(23)36-18-20-10-12-29-24(15-20)32-25(34)17-28-13-14-33(3)4/h5-12,15-16,19,28H,13-14,17-18H2,1-4H3,(H,31,35)(H,29,32,34)