5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H23BrClN3O4S MolecularWeight: 576.88982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C25H23BrClN3O4S/c1-16-13-19(8-9-21(16)27)34-15-23(31)29-30-25(35)28-24(32)20-14-18(26)7-10-22(20)33-12-11-17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,29,31)(H2,28,30,32,35)