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

Systemtic Name: 5-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

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