2-methyl-3-nitro-N-[[5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[[5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[5-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O5S/c1-14-16(8-5-9-17(14)26(29)30)20(28)23-12-19-24-25-21(31-19)32-13-18(27)22-11-10-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3,(H,22,27)(H,23,28)