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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-(4-tert-butylphenoxy)-2-methyl-propanamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-(4-tert-butylphenoxy)-2-methyl-propanamide CAS Name: 2-(4-tert-butylphenoxy)-2-methyl-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-(4-tert-butylphenoxy)-2-methylpropanamide Traditional Name: 2-(4-tert-butylphenoxy)-N-(2-butyramido-1,3-benzothiazol-6-yl)-2-methyl-propionamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-7-8-21(29)28-23-27-19-14-11-17(15-20(19)32-23)26-22(30)25(5,6)31-18-12-9-16(10-13-18)24(2,3)4/h9-15H,7-8H2,1-6H3,(H,26,30)(H,27,28,29)