7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-7-tert-butyl-2-heptylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-(heptylthio)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-2-heptylsulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-7-tert-butyl-2-(heptylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H36N2OS2 MolecularWeight: 432.68544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC=C

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC=C

InChI

InChI=1S/C24H36N2OS2/c1-6-8-9-10-11-15-28-23-25-21-20(22(27)26(23)14-7-2)18-13-12-17(24(3,4)5)16-19(18)29-21/h7,17H,2,6,8-16H2,1,3-5H3