5-[2-[(4-ethoxyphenyl)methylsulfanyl]ethyl]-6-methyl-2-pentylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-[2-[(4-ethoxyphenyl)methylsulfanyl]ethyl]-6-methyl-2-pentylsulfanyl-1,3-diazinan-4-one Openeye Name: 5-[2-[(4-ethoxyphenyl)methylsulfanyl]ethyl]-6-methyl-2-pentylsulfanyl-hexahydropyrimidin-4-one CAS Name: 5-[2-[(4-ethoxyphenyl)methylthio]ethyl]-6-methyl-2-(pentylthio)-1,3-diazinan-4-one IUPAC Name: 5-[2-[(4-ethoxyphenyl)methylsulfanyl]ethyl]-6-methyl-2-pentylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(amylthio)-5-[2-[(4-ethoxybenzyl)thio]ethyl]-6-methyl-hexahydropyrimidin-4-one Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)CCSCC2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)CCSCC2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C21H34N2O2S2/c1-4-6-7-13-27-21-22-16(3)19(20(24)23-21)12-14-26-15-17-8-10-18(11-9-17)25-5-2/h8-11,16,19,21-22H,4-7,12-15H2,1-3H3,(H,23,24)