3-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-(2-butyramido-1,3-benzothiazol-6-yl)-4-ethoxy-benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c1-3-5-18(25)24-20-23-15-8-7-13(11-17(15)28-20)22-19(26)12-6-9-16(27-4-2)14(21)10-12/h6-11H,3-5H2,1-2H3,(H,22,26)(H,23,24,25)