2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

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