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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C23H27ClN6O4S MolecularWeight: 519.01628

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C23H27ClN6O4S/c1-27-6-8-28(9-7-27)21-4-2-16(14-19(21)24)25-23(35)26-22(31)18-15-17(30(32)33)3-5-20(18)29-10-12-34-13-11-29/h2-5,14-15H,6-13H2,1H3,(H2,25,26,31,35)