S-benzamido 4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate

Systemtic Name: S-benzamido 4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate Openeye Name: S-benzamido 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate CAS Name: 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1-piperazinecarbothioic acid S-benzamido ester IUPAC Name: S-benzamido 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioate Traditional Name: 4-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioic acid S-benzamido ester Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SNC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SNC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5S/c29-20-9-7-17(23-24-20)16-6-8-18(19(14-16)28(32)33)26-10-12-27(13-11-26)22(31)34-25-21(30)15-4-2-1-3-5-15/h1-6,8,14H,7,9-13H2,(H,24,29)(H,25,30)