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

Systemtic Name: N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C25H24Cl2N4O3S MolecularWeight: 531.45406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24Cl2N4O3S/c1-2-22(32)30-12-14-31(15-13-30)23-18(27)4-3-5-19(23)28-25(35)29-24(33)21-11-10-20(34-21)16-6-8-17(26)9-7-16/h3-11H,2,12-15H2,1H3,(H2,28,29,33,35)