5-bromanyl-N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-furamide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C18H19BrN4O4S/c1-10-3-4-12(9-11(10)2)20-15(24)7-8-16(25)22-23-18(28)21-17(26)13-5-6-14(19)27-13/h3-6,9H,7-8H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26,28)