N-[(1E)-1-hydroxyimino-4-methylsulfanyl-1-(oxidanylamino)butan-2-yl]-2-(2-methylphenyl)-4-(2-pyridin-3-ylethyl)benzamide

Systemtic Name: N-[(1E)-1-hydroxyimino-4-methylsulfanyl-1-(oxidanylamino)butan-2-yl]-2-(2-methylphenyl)-4-(2-pyridin-3-ylethyl)benzamide Openeye Name: N-[1-[(E)-N,N'-dihydroxycarbamimidoyl]-3-methylsulfanyl-propyl]-2-(o-tolyl)-4-[2-(3-pyridyl)ethyl]benzamide CAS Name: N-[(1E)-1-(hydroxyamino)-1-hydroxyimino-4-(methylthio)butan-2-yl]-2-(2-methylphenyl)-4-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[(1E)-1-(hydroxyamino)-1-hydroxyimino-4-methylsulfanylbutan-2-yl]-2-(2-methylphenyl)-4-(2-pyridin-3-ylethyl)benzamide Traditional Name: N-[1-[(E)-N-hydroxycarbamohydrohydroximoyl]-3-(methylthio)propyl]-2-(o-tolyl)-4-[2-(3-pyridyl)ethyl]benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CN=CC=C3)C(=O)NC(CCSC)C(=NO)NO

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CN=CC=C3)C(=O)NC(CCSC)/C(=N\O)/NO

InChI

InChI=1S/C26H30N4O3S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)26(31)28-24(13-15-34-2)25(29-32)30-33/h3-8,11-12,14,16-17,24,32-33H,9-10,13,15H2,1-2H3,(H,28,31)(H,29,30)