5-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

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