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

Systemtic Name: 5-bromanyl-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[2-(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=C2OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

InChI

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