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

Systemtic Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-phenyl-4-pyrimidinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(6-phenylpyrimidin-4-yl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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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)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S3/c1-2-17(30-19-11-16(23-12-24-19)13-6-4-3-5-7-13)20(27)26-21-25-15-9-8-14(32(22,28)29)10-18(15)31-21/h3-12,17H,2H2,1H3,(H2,22,28,29)(H,25,26,27)