5-bromanyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-isobutoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-isobutoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3S/c1-18(2)17-32-22-10-6-9-21(16-22)28-26(33)29-25(30)23-15-20(27)11-12-24(23)31-14-13-19-7-4-3-5-8-19/h3-12,15-16,18H,13-14,17H2,1-2H3,(H2,28,29,30,33)