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

Systemtic Name: 2-bromanyl-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-diiodo-benzamide CAS Name: 2-bromo-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-diiodobenzamide Traditional Name: 2-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-diiodo-benzamide Formula: C16H9BrClI2N3OS2 MolecularWeight: 692.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

InChI

InChI=1S/C16H9BrClI2N3OS2/c1-6-2-12-11(5-9(6)18)21-16(26-12)23-15(25)22-14(24)8-3-7(19)4-10(20)13(8)17/h2-5H,1H3,(H2,21,22,23,24,25)