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

Systemtic Name: 3-bromanyl-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[3-(2-methylallyloxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[3-(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(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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