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

Systemtic Name: S-benzamido 4-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioate Openeye Name: S-benzamido 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioate CAS Name: 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]-1-piperazinecarbothioic acid S-benzamido ester IUPAC Name: S-benzamido 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]piperazine-1-carbothioate Traditional Name: 4-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioic acid S-benzamido ester Formula: C23H24N6O5S MolecularWeight: 496.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SNC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SNC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O5S/c1-15-13-20(30)24-25-21(15)17-7-8-18(19(14-17)29(33)34)27-9-11-28(12-10-27)23(32)35-26-22(31)16-5-3-2-4-6-16/h2-8,14-15H,9-13H2,1H3,(H,24,30)(H,26,31)