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

Systemtic Name: 2-phenacylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(phenacylthio)-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-phenacylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H24N2O2S2 MolecularWeight: 460.61096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O2S2/c29-21(19-11-5-2-6-12-19)17-31-26-27-24-23(20-13-7-8-14-22(20)32-24)25(30)28(26)16-15-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2