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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4S/c22-14(17-16-19-18-15(26-16)10-1-2-10)11-3-4-12(13(9-11)21(23)24)20-5-7-25-8-6-20/h3-4,9-10H,1-2,5-8H2,(H,17,19,22)