5-bromanyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-13(14-5-3-2-4-6-14)23-19(26)15-7-9-16(10-8-15)24-21(29)25-20(27)17-11-12-18(22)28-17/h2-13H,1H3,(H,23,26)(H2,24,25,27,29)