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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(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=C(C=C2)C(=O)NC(C)C3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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