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

Systemtic Name: 3-iodanyl-4-methoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C24H22IN3O3S MolecularWeight: 559.41925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)I

InChI

InChI=1S/C24H22IN3O3S/c1-31-21-12-11-17(14-20(21)25)23(30)28-24(32)27-19-9-5-8-18(15-19)26-22(29)13-10-16-6-3-2-4-7-16/h2-9,11-12,14-15H,10,13H2,1H3,(H,26,29)(H2,27,28,30,32)