N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-iodo-benzamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-iodobenzamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-iodo-benzamide Formula: C17H14IN3O3S2 MolecularWeight: 499.34583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)I)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)I)OC

InChI

InChI=1S/C17H14IN3O3S2/c1-23-11-7-12(24-2)14-13(8-11)26-17(19-14)21-16(25)20-15(22)9-4-3-5-10(18)6-9/h3-8H,1-2H3,(H2,19,20,21,22,25)