N-[2-[[1-[(1-cyano-3-methylsulfanyl-propyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-pyridin-4-yl-ethyl]benzamide

Systemtic Name: N-[2-[[1-[(1-cyano-3-methylsulfanyl-propyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-pyridin-4-yl-ethyl]benzamide Openeye Name: N-[2-[[1-[(1-cyano-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]amino]-2-oxo-1-(4-pyridyl)ethyl]benzamide CAS Name: N-[2-[[1-[[1-cyano-3-(methylthio)propyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-pyridin-4-ylethyl]benzamide IUPAC Name: N-[2-[[1-[(1-cyano-3-methylsulfanylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-pyridin-4-ylethyl]benzamide Traditional Name: N-[2-[[1-[[1-cyano-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-(4-pyridyl)ethyl]benzamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C#N)NC(=O)C(C1=CC=NC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C#N)NC(=O)C(C1=CC=NC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H31N5O3S/c1-17(2)15-21(24(32)28-20(16-26)11-14-34-3)29-25(33)22(18-9-12-27-13-10-18)30-23(31)19-7-5-4-6-8-19/h4-10,12-13,17,20-22H,11,14-15H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)