5-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]-2-furamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O2S/c23-16-7-5-6-15(14-16)19-10-11-20(28-19)21(27)25-22(29)24-17-8-1-2-9-18(17)26-12-3-4-13-26/h1-2,5-11,14H,3-4,12-13H2,(H2,24,25,27,29)