3-iodanyl-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H21IN2O3S MolecularWeight: 532.39391

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)OCCOC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)I

InChI

InChI=1S/C23H21IN2O3S/c1-16-10-11-17(14-21(16)24)22(27)26-23(30)25-18-6-5-9-20(15-18)29-13-12-28-19-7-3-2-4-8-19/h2-11,14-15H,12-13H2,1H3,(H2,25,26,27,30)