ethyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H31N5O3S/c1-2-32-24(31)29-16-14-28(15-17-29)23(30)18-33-22-11-10-21(25-26-22)19-6-8-20(9-7-19)27-12-4-3-5-13-27/h6-11H,2-5,12-18H2,1H3