ethyl 4-[[1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-[6-(p-tolylthio)pyridazin-3-yl]nipecotoyl]amino]benzoic acid ethyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)SC4=CC=C(C=C4)C

InChI

InChI=1S/C26H28N4O3S/c1-3-33-26(32)19-8-10-21(11-9-19)27-25(31)20-5-4-16-30(17-20)23-14-15-24(29-28-23)34-22-12-6-18(2)7-13-22/h6-15,20H,3-5,16-17H2,1-2H3,(H,27,31)