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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2,4-dichlorophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(2,4-dichlorophenyl)-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2,4-dichlorophenyl)-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2,4-dichlorophenyl)-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C26H26Cl2N4O3S MolecularWeight: 545.48064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H26Cl2N4O3S/c1-16(2)25(34)32-13-11-31(12-14-32)21-6-4-3-5-20(21)29-26(36)30-24(33)23-10-9-22(35-23)18-8-7-17(27)15-19(18)28/h3-10,15-16H,11-14H2,1-2H3,(H2,29,30,33,36)