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

Systemtic Name: 5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H26BrN3O3S/c1-3-24(31)28-21-10-7-11-22(17(21)2)29-26(34)30-25(32)20-16-19(27)12-13-23(20)33-15-14-18-8-5-4-6-9-18/h4-13,16H,3,14-15H2,1-2H3,(H,28,31)(H2,29,30,32,34)