3-bromanyl-4-butoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-3-4-15-34-24-14-13-21(17-23(24)28)26(33)31-27(35)30-22-12-8-11-20(16-22)25(32)29-18(2)19-9-6-5-7-10-19/h5-14,16-18H,3-4,15H2,1-2H3,(H,29,32)(H2,30,31,33,35)