N-(2-nitro-5-propylsulfanyl-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-nitro-5-propylsulfanyl-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-nitro-5-propylsulfanyl-phenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[2-nitro-5-(propylthio)phenyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-nitro-5-propylsulfanylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-[2-nitro-5-(propylthio)phenyl]-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5S/c1-2-11-32-16-4-5-18(25(28)29)17(12-16)22-20(27)14-23-7-9-24(10-8-23)15-3-6-19(21-13-15)26(30)31/h3-6,12-13H,2,7-11,14H2,1H3,(H,22,27)