2-methyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H23N5O5S2/c1-14-15(6-5-9-17(14)25(27)28)19(26)22-20(31)21-16-7-3-4-8-18(16)23-10-12-24(13-11-23)32(2,29)30/h3-9H,10-13H2,1-2H3,(H2,21,22,26,31)