3-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22IN3O4S MolecularWeight: 527.37585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C20H22IN3O4S/c1-3-4-10-28-15-7-5-6-13(11-15)18(25)22-20(29)24-23-19(26)14-8-9-17(27-2)16(21)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,23,26)(H2,22,24,25,29)