N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H20N4O7S/c1-28-14-6-5-11(7-15(14)29-2)8-18-22-23-20(32-18)21-19(25)12-9-16(30-3)17(31-4)10-13(12)24(26)27/h5-7,9-10H,8H2,1-4H3,(H,21,23,25)