2-hexylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-3-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N2OS2/c1-3-4-5-8-15-27-23-24-21-20(18-9-6-7-10-19(18)28-21)22(26)25(23)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3