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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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