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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C23H23N5O6S2 MolecularWeight: 529.58862

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O6S2/c1-36(32,33)27-14-12-26(13-15-27)19-9-5-3-7-17(19)24-23(35)25-22(29)21-11-10-20(34-21)16-6-2-4-8-18(16)28(30)31/h2-11H,12-15H2,1H3,(H2,24,25,29,35)