2-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-bis(iodanyl)benzamide

Systemtic Name: 2-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-diiodo-benzamide CAS Name: 2-bromo-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-diiodobenzamide Traditional Name: 2-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-diiodo-benzamide Formula: C19H16BrI2N3OS2 MolecularWeight: 700.19278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

InChI

InChI=1S/C19H16BrI2N3OS2/c1-2-3-4-10-5-6-14-15(7-10)28-19(23-14)25-18(27)24-17(26)12-8-11(21)9-13(22)16(12)20/h5-9H,2-4H2,1H3,(H2,23,24,25,26,27)