5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3S/c1-17(2,3)15(23)19-10-5-4-6-11(9-10)20-16(25)21-14(22)12-7-8-13(18)24-12/h4-9H,1-3H3,(H,19,23)(H2,20,21,22,25)