3-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H21BrClN3O3S MolecularWeight: 546.86384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl)Br

InChI

InChI=1S/C24H21BrClN3O3S/c1-14-7-8-16(13-19(14)25)23(31)29-24(33)28-18-11-9-17(10-12-18)27-22(30)15(2)32-21-6-4-3-5-20(21)26/h3-13,15H,1-2H3,(H,27,30)(H2,28,29,31,33)