2-(4-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C23H26ClN5O4S MolecularWeight: 504.00164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN5O4S/c24-18-3-1-17(2-4-18)15-22(30)25-23(34)28-9-7-26(8-10-28)19-5-6-20(29(31)32)21(16-19)27-11-13-33-14-12-27/h1-6,16H,7-15H2,(H,25,30,34)