5-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H18BrN3O3S/c1-21(2)15(22)9-6-11-4-3-5-12(10-11)19-17(25)20-16(23)13-7-8-14(18)24-13/h3-5,7-8,10H,6,9H2,1-2H3,(H2,19,20,23,25)