5-bromanyl-N-[2-[[4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[[4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[4-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[4-(isovalerylamino)anilino]-2-keto-ethyl]-2-furamide Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4/c1-11(2)9-16(23)21-12-3-5-13(6-4-12)22-17(24)10-20-18(25)14-7-8-15(19)26-14/h3-8,11H,9-10H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)