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

Systemtic Name: 7-tert-butyl-2-hexylsulfanyl-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-hexylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-(hexylthio)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-2-hexylsulfanyl-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-(hexylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H34N2OS2 MolecularWeight: 418.65886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC=C

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC=C

InChI

InChI=1S/C23H34N2OS2/c1-6-8-9-10-14-27-22-24-20-19(21(26)25(22)13-7-2)17-12-11-16(23(3,4)5)15-18(17)28-20/h7,16H,2,6,8-15H2,1,3-5H3