N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[(2-iodobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[(2-iodobenzoyl)amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C18H18IN3O5S MolecularWeight: 515.32209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C18H18IN3O5S/c1-25-13-8-10(9-14(26-2)15(13)27-3)16(23)20-18(28)22-21-17(24)11-6-4-5-7-12(11)19/h4-9H,1-3H3,(H,21,24)(H2,20,22,23,28)