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

Systemtic Name: 5-bromanyl-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(dimethylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O3S/c1-29(2)24(31)18-9-6-10-20(15-18)27-25(33)28-23(30)21-16-19(26)11-12-22(21)32-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H2,27,28,30,33)