5-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C31H27BrClN3O4S MolecularWeight: 652.98578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

InChI

InChI=1S/C31H27BrClN3O4S/c1-20(40-28-10-6-5-9-26(28)33)29(37)34-23-12-14-24(15-13-23)35-31(41)36-30(38)25-19-22(32)11-16-27(25)39-18-17-21-7-3-2-4-8-21/h2-16,19-20H,17-18H2,1H3,(H,34,37)(H2,35,36,38,41)