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

Systemtic Name: 7-tert-butyl-2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 7-tert-butyl-2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-2-(hexylthio)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-tert-butyl-2-hexylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 7-tert-butyl-2-(hexylthio)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H34N2OS2 MolecularWeight: 454.69096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C26H34N2OS2/c1-5-6-7-11-16-30-25-27-23-22(24(29)28(25)19-12-9-8-10-13-19)20-15-14-18(26(2,3)4)17-21(20)31-23/h8-10,12-13,18H,5-7,11,14-17H2,1-4H3