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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C24H25ClN4O4S2 MolecularWeight: 533.0627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)S(=O)(=O)C)Cl

InChI

InChI=1S/C24H25ClN4O4S2/c1-16-7-8-17(15-18(16)25)21-9-10-22(33-21)23(30)27-24(34)26-19-5-3-4-6-20(19)28-11-13-29(14-12-28)35(2,31)32/h3-10,15H,11-14H2,1-2H3,(H2,26,27,30,34)