5-bromanyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-furamide Formula: C17H16BrClN4O4S MolecularWeight: 487.75534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H16BrClN4O4S/c1-9-10(19)3-2-4-11(9)20-14(24)7-8-15(25)22-23-17(28)21-16(26)12-5-6-13(18)27-12/h2-6H,7-8H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26,28)