N-(4-tert-butylphenyl)-2-[[2-[2-(cyclopropylamino)ethanoylamino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[2-[2-(cyclopropylamino)ethanoylamino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[[2-[[2-(cyclopropylamino)acetyl]amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[[2-[[2-(cyclopropylamino)-1-oxoethyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[2-[[2-(cyclopropylamino)acetyl]amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[[2-[[2-(cyclopropylamino)acetyl]amino]-4-pyridyl]methylthio]nicotinamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CNC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CNC4CC4

InChI

InChI=1S/C27H31N5O2S/c1-27(2,3)19-6-8-21(9-7-19)31-25(34)22-5-4-13-29-26(22)35-17-18-12-14-28-23(15-18)32-24(33)16-30-20-10-11-20/h4-9,12-15,20,30H,10-11,16-17H2,1-3H3,(H,31,34)(H,28,32,33)