5-[2,3-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-5-(2,3-dichlorophenyl)-2-furamide Formula: C26H25Cl3N4O3S MolecularWeight: 579.9257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25Cl3N4O3S/c1-15(2)25(35)33-12-10-32(11-13-33)20-7-6-16(14-19(20)28)30-26(37)31-24(34)22-9-8-21(36-22)17-4-3-5-18(27)23(17)29/h3-9,14-15H,10-13H2,1-2H3,(H2,30,31,34,37)