N-[6-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]sulfanylpyridazin-3-yl]ethanamide

Systemtic Name: N-[6-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]sulfanylpyridazin-3-yl]ethanamide Openeye Name: N-[6-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]sulfanylpyridazin-3-yl]acetamide CAS Name: N-[6-[[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]thio]-3-pyridazinyl]acetamide IUPAC Name: N-[6-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]sulfanylpyridazin-3-yl]acetamide Traditional Name: N-[6-[[4-(4-benzylpiperidino)-4-keto-butyl]thio]pyridazin-3-yl]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN=C(C=C1)SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-17(27)23-20-9-10-21(25-24-20)29-15-5-8-22(28)26-13-11-19(12-14-26)16-18-6-3-2-4-7-18/h2-4,6-7,9-10,19H,5,8,11-16H2,1H3,(H,23,24,27)