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

Systemtic Name: 4,5-dimethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-[2-(4-methoxyphenyl)thiazol-4-yl]ethyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-[2-(4-methoxyphenyl)-4-thiazolyl]ethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-[2-(4-methoxyphenyl)thiazol-4-yl]ethyl]-2-nitro-benzamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CCNC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21N3O6S/c1-28-15-6-4-13(5-7-15)21-23-14(12-31-21)8-9-22-20(25)16-10-18(29-2)19(30-3)11-17(16)24(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)