3-cyclohexyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-cyclohexyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclohexyl-2-phenethylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclohexyl-2-(phenethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-cyclohexyl-2-phenethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclohexyl-2-(phenethylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H28N2OS2 MolecularWeight: 424.62192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCCC4=CC=CC=C4)SC5=C3CCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCCC4=CC=CC=C4)SC5=C3CCCC5

InChI

InChI=1S/C24H28N2OS2/c27-23-21-19-13-7-8-14-20(19)29-22(21)25-24(26(23)18-11-5-2-6-12-18)28-16-15-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16H2