5-bromanyl-2-phenethyloxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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