5-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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