N-(4-bromanyl-2,6-dimethyl-phenyl)-2-(tert-butylcarbamoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-2-(tert-butylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-(tert-butylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2-[[(tert-butylamino)-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-2-(tert-butylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-(tert-butylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)(C)C)C)Br

InChI

InChI=1S/C21H23BrN4O2S/c1-11-8-14(22)9-12(2)17(11)24-18(27)13-6-7-15-16(10-13)29-20(23-15)25-19(28)26-21(3,4)5/h6-10H,1-5H3,(H,24,27)(H2,23,25,26,28)