5-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]-2-furamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O2S/c23-16-5-3-15(4-6-16)19-11-12-20(28-19)21(27)25-22(29)24-17-7-9-18(10-8-17)26-13-1-2-14-26/h3-12H,1-2,13-14H2,(H2,24,25,27,29)