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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O2S/c23-16-9-7-15(8-10-16)19-11-12-20(28-19)21(27)25-22(29)24-17-5-1-2-6-18(17)26-13-3-4-14-26/h1-2,5-12H,3-4,13-14H2,(H2,24,25,27,29)