5-bromanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]-2-furamide Formula: C16H16BrN3O4S2 MolecularWeight: 458.34994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H16BrN3O4S2/c17-14-8-7-13(24-14)15(21)19-16(25)18-11-3-5-12(6-4-11)26(22,23)20-9-1-2-10-20/h3-8H,1-2,9-10H2,(H2,18,19,21,25)