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

Systemtic Name: 3-iodanyl-4-methyl-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C23H21IN2O2S MolecularWeight: 516.39451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3)I

InChI

InChI=1S/C23H21IN2O2S/c1-16-10-11-18(14-21(16)24)22(27)26-23(29)25-19-8-5-9-20(15-19)28-13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H2,25,26,27,29)