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

Systemtic Name: 5-(4-bromophenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]-2-furamide Formula: C24H25BrN3O2S+ MolecularWeight: 499.4432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3O2S/c25-19-8-6-18(7-9-19)21-12-13-22(30-21)23(29)27-24(31)26-20-10-4-17(5-11-20)16-28-14-2-1-3-15-28/h4-13H,1-3,14-16H2,(H2,26,27,29,31)/p+1