2-chloranyl-4-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C23H26ClN5O4S/c1-16-2-4-18(19(24)14-16)22(30)25-23(34)28-8-6-26(7-9-28)17-3-5-20(29(31)32)21(15-17)27-10-12-33-13-11-27/h2-5,14-15H,6-13H2,1H3,(H,25,30,34)