2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(hexylamino)cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(hexylamino)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(hexylamino)cyclohex-2-en-1-one CAS Name: 5-[2-(ethylthio)propyl]-3-(hexylamino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(hexylamino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5-[2-(ethylthio)propyl]-3-(hexylamino)cyclohex-2-en-1-one Formula: C21H37NO2S MolecularWeight: 367.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=O)CC(C1)CC(C)SCC)C(=O)CCC

Isomeric SMILES

CCCCCCNC1=C(C(=O)CC(C1)CC(C)SCC)C(=O)CCC

InChI

InChI=1S/C21H37NO2S/c1-5-8-9-10-12-22-18-14-17(13-16(4)25-7-3)15-20(24)21(18)19(23)11-6-2/h16-17,22H,5-15H2,1-4H3