N-(2-chloranyl-6-methyl-phenyl)-2-(2,2-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(2,2-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(2,2-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[(2,2-dimethyl-1-oxobutyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(2,2-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(2,2-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3Cl)C

Isomeric SMILES

CCC(C)(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=CC=C3Cl)C

InChI

InChI=1S/C21H22ClN3O2S/c1-5-21(3,4)19(27)25-20-23-15-10-9-13(11-16(15)28-20)18(26)24-17-12(2)7-6-8-14(17)22/h6-11H,5H2,1-4H3,(H,24,26)(H,23,25,27)