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

Systemtic Name: 3-cyclohexyl-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-cyclohexyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclohexyl-2-(phenylmethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-cyclohexyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H26N2OS2 MolecularWeight: 410.59534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCC5

InChI

InChI=1S/C23H26N2OS2/c26-22-20-18-13-7-8-14-19(18)28-21(20)24-23(25(22)17-11-5-2-6-12-17)27-15-16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2