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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=CC=C3)SC4=C2CCCC4

InChI

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