5-(4-bromophenyl)-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-2-furamide Formula: C22H19BrClN3O2S MolecularWeight: 504.82716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrClN3O2S/c23-15-8-6-14(7-9-15)18-10-11-19(29-18)21(28)26-22(30)25-17-5-3-4-16(24)20(17)27-12-1-2-13-27/h3-11H,1-2,12-13H2,(H2,25,26,28,30)