N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(2-chloro-5-pyrrolidinosulfonyl-phenyl)thiocarbamoyl]-2-furamide Formula: C16H16ClN3O4S2 MolecularWeight: 413.89894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H16ClN3O4S2/c17-12-6-5-11(26(22,23)20-7-1-2-8-20)10-13(12)18-16(25)19-15(21)14-4-3-9-24-14/h3-6,9-10H,1-2,7-8H2,(H2,18,19,21,25)