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

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

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-2-3-4-15-19-20-17(27-15)18-16(23)12-5-6-13(14(11-12)22(24)25)21-7-9-26-10-8-21/h5-6,11H,2-4,7-10H2,1H3,(H,18,20,23)