5-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 5-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-(2-butyramido-1,3-benzothiazol-6-yl)-2-methoxy-3-methyl-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(=CC(=C3OC)C)Br

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

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