5-bromanyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

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