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

Systemtic Name: 4-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: 4-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide Formula: C23H26N6O6S MolecularWeight: 514.55414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O6S/c1-16-2-3-17(14-20(16)29(33)34)22(30)24-23(36)27-8-6-25(7-9-27)18-4-5-19(28(31)32)21(15-18)26-10-12-35-13-11-26/h2-5,14-15H,6-13H2,1H3,(H,24,30,36)