ethyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetyl]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)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

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