methyl N'-[1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidin-4-yl]carbamimidothioate

Systemtic Name: methyl N'-[1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperidin-4-yl]carbamimidothioate Openeye Name: 2-methyl-3-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]-4-piperidyl]isothiourea CAS Name: N'-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]-4-piperidinyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-nitrophenyl]piperidin-4-yl]carbamimidothioate Traditional Name: 3-[1-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]-4-piperidyl]-2-methyl-isothiourea Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)N=C(N)SC)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)N=C(N)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3S/c1-11-9-16(25)21-22-17(11)12-3-4-14(15(10-12)24(26)27)23-7-5-13(6-8-23)20-18(19)28-2/h3-4,10-11,13H,5-9H2,1-2H3,(H2,19,20)(H,21,25)