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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: 2-methoxy-4-(methylthio)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)SC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)SC)OC)OC

InChI

InChI=1S/C20H21N3O4S2/c1-25-15-8-5-12(9-17(15)27-3)10-18-22-23-20(29-18)21-19(24)14-7-6-13(28-4)11-16(14)26-2/h5-9,11H,10H2,1-4H3,(H,21,23,24)