2-morpholin-4-yl-5-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-morpholino-5-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N5O4S/c1-2-3-4-5-16-20-21-18(28-16)19-17(24)14-12-13(23(25)26)6-7-15(14)22-8-10-27-11-9-22/h6-7,12H,2-5,8-11H2,1H3,(H,19,21,24)