2-(tert-butylcarbamoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(tert-butylcarbamoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(tert-butylcarbamoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(tert-butylamino)-oxomethyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(tert-butylcarbamoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(tert-butylcarbamoylamino)-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H24N4O2S/c1-12-7-6-8-13(2)17(12)23-18(26)14-9-10-15-16(11-14)28-20(22-15)24-19(27)25-21(3,4)5/h6-11H,1-5H3,(H,23,26)(H2,22,24,25,27)