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

Systemtic Name: methyl N'-[2-cyano-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1-phenyl-piperidin-4-yl]carbamimidothioate Openeye Name: 3-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-phenyl-4-piperidyl]-2-methyl-isothiourea CAS Name: N'-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-phenyl-4-piperidinyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-phenylpiperidin-4-yl]carbamimidothioate Traditional Name: 3-[2-cyano-4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-1-phenyl-4-piperidyl]-2-methyl-isothiourea Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1(CCN(C(C1)C#N)C2=CC=CC=C2)C3=NNC(=O)CC3)N

Isomeric SMILES

CSC(=NC1(CCN(C(C1)C#N)C2=CC=CC=C2)C3=NNC(=O)CC3)N

InChI

InChI=1S/C18H22N6OS/c1-26-17(20)21-18(15-7-8-16(25)23-22-15)9-10-24(14(11-18)12-19)13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H2,20,21)(H,23,25)