5-bromanyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-2-furamide Formula: C15H14BrN3O3S MolecularWeight: 396.25896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O3S/c1-17-13(20)8-9-2-4-10(5-3-9)18-15(23)19-14(21)11-6-7-12(16)22-11/h2-7H,8H2,1H3,(H,17,20)(H2,18,19,21,23)