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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N6O5S2 MolecularWeight: 532.63562

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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(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O5S2/c1-36(33,34)28-14-12-27(13-15-28)19-7-3-2-6-18(19)24-23(35)25-22(30)17-8-9-20(21(16-17)29(31)32)26-10-4-5-11-26/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,24,25,30,35)