3-butan-2-yl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butan-2-yl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-sec-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-butan-2-yl-2-(phenacylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-butan-2-yl-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-sec-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H24N2O2S2 MolecularWeight: 412.56816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCCC4

Isomeric SMILES

CCC(C)N1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCCC4

InChI

InChI=1S/C22H24N2O2S2/c1-3-14(2)24-21(26)19-16-11-7-8-12-18(16)28-20(19)23-22(24)27-13-17(25)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3