2-hexylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-hexylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-7-methyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-7-methyl-3-phenyl-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)CC(CC3)C)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C23H28N2OS2/c1-3-4-5-9-14-27-23-24-21-20(18-13-12-16(2)15-19(18)28-21)22(26)25(23)17-10-7-6-8-11-17/h6-8,10-11,16H,3-5,9,12-15H2,1-2H3