2-(6-methylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-methyl-4-pyrimidinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(6-methylpyrimidin-4-yl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butyramide Formula: C16H17N5O3S3 MolecularWeight: 423.53288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC=NC(=C3)C

InChI

InChI=1S/C16H17N5O3S3/c1-3-12(25-14-6-9(2)18-8-19-14)15(22)21-16-20-11-5-4-10(27(17,23)24)7-13(11)26-16/h4-8,12H,3H2,1-2H3,(H2,17,23,24)(H,20,21,22)