3-iodanyl-4-methyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H18IN3O2S MolecularWeight: 515.36669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)I

InChI

InChI=1S/C22H18IN3O2S/c1-14-7-8-18(13-19(14)23)20(27)24-22(29)26-25-21(28)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,28)(H2,24,26,27,29)