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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4S/c1-10(2)15-18-19-16(26-15)17-14(22)11-3-4-12(13(9-11)21(23)24)20-5-7-25-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,17,19,22)