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

Systemtic Name: 5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O3S/c1-3-31(4-2)26(33)20-11-8-12-22(17-20)29-27(35)30-25(32)23-18-21(28)13-14-24(23)34-16-15-19-9-6-5-7-10-19/h5-14,17-18H,3-4,15-16H2,1-2H3,(H2,29,30,32,35)