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

Systemtic Name: 4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C20H23N5O6S2 MolecularWeight: 493.55652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6S2/c1-31-18-8-7-14(13-17(18)25(27)28)19(26)22-20(32)21-15-5-3-4-6-16(15)23-9-11-24(12-10-23)33(2,29)30/h3-8,13H,9-12H2,1-2H3,(H2,21,22,26,32)