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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-2-phenoxy-propanamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-2-phenoxy-propanamide CAS Name: 2-methyl-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-2-phenoxypropanamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methyl-2-phenoxypropanamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-2-methyl-2-phenoxy-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-4-8-18(25)24-20-23-16-12-11-14(13-17(16)28-20)22-19(26)21(2,3)27-15-9-6-5-7-10-15/h5-7,9-13H,4,8H2,1-3H3,(H,22,26)(H,23,24,25)