N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C24H28N6O5S MolecularWeight: 512.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C24H28N6O5S/c1-17(31)27-8-10-28(11-9-27)22-5-3-2-4-20(22)25-24(36)26-23(32)19-16-18(30(33)34)6-7-21(19)29-12-14-35-15-13-29/h2-7,16H,8-15H2,1H3,(H2,25,26,32,36)