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

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(2,4-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-5-(2,4-dichlorophenyl)-2-furamide Formula: C25H23Cl3N4O3S MolecularWeight: 565.89912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23Cl3N4O3S/c1-2-23(33)32-11-9-31(10-12-32)20-6-4-16(27)14-19(20)29-25(36)30-24(34)22-8-7-21(35-22)17-5-3-15(26)13-18(17)28/h3-8,13-14H,2,9-12H2,1H3,(H2,29,30,34,36)