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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-5-(4-chlorophenyl)-2-furamide Formula: C26H26Cl2N4O3S MolecularWeight: 545.48064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26Cl2N4O3S/c1-2-3-24(33)32-14-12-31(13-15-32)21-9-8-19(16-20(21)28)29-26(36)30-25(34)23-11-10-22(35-23)17-4-6-18(27)7-5-17/h4-11,16H,2-3,12-15H2,1H3,(H2,29,30,34,36)