5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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