3-[3-(methylamino)-3-oxidanylidene-2-(4-thiophen-2-ylsulfanylbut-1-ynylamino)propyl]-2-(2-methylpropyl)-N-oxidanyl-benzamide

Systemtic Name: 3-[3-(methylamino)-3-oxidanylidene-2-(4-thiophen-2-ylsulfanylbut-1-ynylamino)propyl]-2-(2-methylpropyl)-N-oxidanyl-benzamide Openeye Name: 3-[3-(hydroxycarbamoyl)-2-isobutyl-phenyl]-N-methyl-2-[4-(2-thienylsulfanyl)but-1-ynylamino]propanamide CAS Name: N-hydroxy-3-[3-(methylamino)-3-oxo-2-[4-(thiophen-2-ylthio)but-1-ynylamino]propyl]-2-(2-methylpropyl)benzamide IUPAC Name: N-hydroxy-3-[3-(methylamino)-3-oxo-2-(4-thiophen-2-ylsulfanylbut-1-ynylamino)propyl]-2-(2-methylpropyl)benzamide Traditional Name: 3-[3-(hydroxycarbamoyl)-2-isobutyl-phenyl]-N-methyl-2-[4-(2-thienylthio)but-1-ynylamino]propionamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC=C1CC(C(=O)NC)NC#CCCSC2=CC=CS2)C(=O)NO

Isomeric SMILES

CC(C)CC1=C(C=CC=C1CC(C(=O)NC)NC#CCCSC2=CC=CS2)C(=O)NO

InChI

InChI=1S/C23H29N3O3S2/c1-16(2)14-19-17(8-6-9-18(19)22(27)26-29)15-20(23(28)24-3)25-11-4-5-12-30-21-10-7-13-31-21/h6-10,13,16,20,25,29H,5,12,14-15H2,1-3H3,(H,24,28)(H,26,27)