3-bromanyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[2-(2-methylallyloxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[2-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[2-(2-methylallyloxy)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(=C)COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H25BrN2O3S/c1-18(2)17-32-24-11-7-6-10-22(24)28-26(33)29-25(30)20-12-13-23(21(27)16-20)31-15-14-19-8-4-3-5-9-19/h3-13,16H,1,14-15,17H2,2H3,(H2,28,29,30,33)