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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-2-14-28-24(31)19-9-6-10-21(16-19)29-26(34)30-25(32)22-17-20(27)11-12-23(22)33-15-13-18-7-4-3-5-8-18/h3-12,16-17H,2,13-15H2,1H3,(H,28,31)(H2,29,30,32,34)