5-(4-bromophenyl)-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C21H17BrN4O3S2 MolecularWeight: 517.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN4O3S2/c1-12(27)23-20(30)24-15-6-8-16(9-7-15)25-21(31)26-19(28)18-11-10-17(29-18)13-2-4-14(22)5-3-13/h2-11H,1H3,(H2,23,24,27,30)(H2,25,26,28,31)