N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[5-methyl-4-(4-propylphenyl)-2-thiazolyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[5-methyl-4-(4-propylphenyl)thiazol-2-yl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C

InChI

InChI=1S/C22H21N3O5S/c1-3-4-14-5-7-15(8-6-14)20-13(2)31-22(23-20)24-21(26)16-11-18-19(30-10-9-29-18)12-17(16)25(27)28/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24,26)