5-bromanyl-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H18BrN3O3S/c22-18-11-10-17(28-18)20(27)25-21(29)24-16-9-5-4-8-15(16)19(26)23-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,26)(H2,24,25,27,29)