1-[4-[[2-methyl-1-(4-methylsulfanylphenyl)pentan-3-yl]amino]butyl]piperidin-2-one

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfanylphenyl)pentan-3-yl]amino]butyl]piperidin-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfanylphenyl)propyl]amino]butyl]piperidin-2-one CAS Name: 1-[4-[[2-methyl-1-[4-(methylthio)phenyl]pentan-3-yl]amino]butyl]-2-piperidinone IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfanylphenyl)pentan-3-yl]amino]butyl]piperidin-2-one Traditional Name: 1-[4-[[1-ethyl-2-methyl-3-[4-(methylthio)phenyl]propyl]amino]butyl]-2-piperidone Formula: C22H36N2OS MolecularWeight: 376.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)SC)NCCCCN2CCCCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)SC)NCCCCN2CCCCC2=O

InChI

InChI=1S/C22H36N2OS/c1-4-21(18(2)17-19-10-12-20(26-3)13-11-19)23-14-6-8-16-24-15-7-5-9-22(24)25/h10-13,18,21,23H,4-9,14-17H2,1-3H3