N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-(4-butylphenyl)thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-(4-butylphenyl)-2-thiazolyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-(4-butylphenyl)thiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H23N3O5S/c1-4-5-6-14-7-9-15(10-8-14)17-13-31-22(23-17)24-21(26)16-11-19(29-2)20(30-3)12-18(16)25(27)28/h7-13H,4-6H2,1-3H3,(H,23,24,26)