N-(4,6-dimethoxypyrimidin-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-sulfamoyl-benzamide

Systemtic Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-sulfamoyl-benzamide Openeye Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-sulfamoyl-benzamide CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]methyl]-3-sulfamoylbenzamide IUPAC Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-3-sulfamoylbenzamide Traditional Name: N-(4,6-dimethoxypyrimidin-2-yl)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]methyl]-3-sulfamoyl-benzamide Formula: C17H18N6O5S3 MolecularWeight: 482.55702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C2=C(C(=CC=C2)S(=O)(=O)N)CC3=NN=C(S3)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C2=C(C(=CC=C2)S(=O)(=O)N)CC3=NN=C(S3)SC)OC

InChI

InChI=1S/C17H18N6O5S3/c1-27-12-8-13(28-2)20-16(19-12)21-15(24)9-5-4-6-11(31(18,25)26)10(9)7-14-22-23-17(29-3)30-14/h4-6,8H,7H2,1-3H3,(H2,18,25,26)(H,19,20,21,24)