6-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C16H18N4O5S/c1-2-3-4-5-14-18-19-16(26-14)17-15(21)10-8-12-13(25-7-6-24-12)9-11(10)20(22)23/h8-9H,2-7H2,1H3,(H,17,19,21)