5-(3-chlorophenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chlorophenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C23H24ClN4O2S+ MolecularWeight: 455.98026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-27-11-13-28(14-12-27)19-7-5-18(6-8-19)25-23(31)26-22(29)21-10-9-20(30-21)16-3-2-4-17(24)15-16/h2-10,15H,11-14H2,1H3,(H2,25,26,29,31)/p+1