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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(1-ethylpropyl)-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:

CCC(CC)C1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H23N5O4S/c1-3-12(4-2)17-20-21-18(28-17)19-16(24)14-11-13(23(25)26)5-6-15(14)22-7-9-27-10-8-22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,19,21,24)