5-bromanyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-furamide Formula: C16H14BrClN4O4S MolecularWeight: 473.72876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)Cl

InChI

InChI=1S/C16H14BrClN4O4S/c17-12-6-5-11(26-12)15(25)20-16(27)22-21-14(24)8-7-13(23)19-10-4-2-1-3-9(10)18/h1-6H,7-8H2,(H,19,23)(H,21,24)(H2,20,22,25,27)