N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-iodanyl-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-iodanyl-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-iodo-benzamide CAS Name: 2-iodo-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-iodobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-2-iodo-benzamide Formula: C18H16IN3O2S MolecularWeight: 465.30801

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=C3I

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H16IN3O2S/c1-2-5-16(23)22-18-21-14-9-8-11(10-15(14)25-18)20-17(24)12-6-3-4-7-13(12)19/h3-4,6-10H,2,5H2,1H3,(H,20,24)(H,21,22,23)