3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S3/c1-13-23-17(14-5-3-2-4-6-14)12-20(24-13)30-10-9-19(27)26-21-25-16-8-7-15(32(22,28)29)11-18(16)31-21/h2-8,11-12H,9-10H2,1H3,(H2,22,28,29)(H,25,26,27)