2-methyl-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[5-(2-morpholinoethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[5-[2-(4-morpholinyl)ethylthio]-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[5-(2-morpholinoethylthio)-1,3,4-oxadiazol-2-yl]methyl]-3-nitro-benzamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCN3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(O2)SCCN3CCOCC3

InChI

InChI=1S/C17H21N5O5S/c1-12-13(3-2-4-14(12)22(24)25)16(23)18-11-15-19-20-17(27-15)28-10-7-21-5-8-26-9-6-21/h2-4H,5-11H2,1H3,(H,18,23)