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

Systemtic Name: 3-(cyclohexylmethyl)-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(cyclohexylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(cyclohexylmethyl)-2-(phenylmethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-3-(cyclohexylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(cyclohexylmethyl)-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)CN2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCC5

Isomeric SMILES

C1CCC(CC1)CN2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCC5

InChI

InChI=1S/C24H28N2OS2/c27-23-21-19-13-7-8-14-20(19)29-22(21)25-24(28-16-18-11-5-2-6-12-18)26(23)15-17-9-3-1-4-10-17/h2,5-6,11-12,17H,1,3-4,7-10,13-16H2