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

Systemtic Name: methyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-32-25(31)19-5-9-20(10-6-19)26-23(30)17-33-24-14-13-22(27-28-24)18-7-11-21(12-8-18)29-15-3-2-4-16-29/h5-14H,2-4,15-17H2,1H3,(H,26,30)