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

Systemtic Name: 5-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]-2-furamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3O2S/c24-18-7-5-17(6-8-18)20-11-12-21(29-20)22(28)26-23(30)25-19-9-3-16(4-10-19)15-27-13-1-2-14-27/h3-12H,1-2,13-15H2,(H2,25,26,28,30)