N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3-chloro-2-(4-tosylpiperazino)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C29H31ClN6O6S2 MolecularWeight: 659.17604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C29H31ClN6O6S2/c1-20-5-8-22(9-6-20)44(40,41)35-13-11-34(12-14-35)27-24(30)3-2-4-25(27)31-29(43)32-28(37)23-19-21(36(38)39)7-10-26(23)33-15-17-42-18-16-33/h2-10,19H,11-18H2,1H3,(H2,31,32,37,43)