2-(4-bromanylphenoxy)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-propanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-propanamide Openeye Name: 2-(4-bromophenoxy)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-propanamide CAS Name: 2-(4-bromophenoxy)-2-methyl-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-(4-bromophenoxy)-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methylpropanamide Traditional Name: 2-(4-bromophenoxy)-N-(2-butyramido-1,3-benzothiazol-6-yl)-2-methyl-propionamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-4-5-18(26)25-20-24-16-11-8-14(12-17(16)29-20)23-19(27)21(2,3)28-15-9-6-13(22)7-10-15/h6-12H,4-5H2,1-3H3,(H,23,27)(H,24,25,26)