3-bromanyl-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(diethylcarbamoyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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