N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H21N5O4S/c1-11(2)9-15-19-20-17(27-15)18-16(23)13-10-12(22(24)25)3-4-14(13)21-5-7-26-8-6-21/h3-4,10-11H,5-9H2,1-2H3,(H,18,20,23)