7-tert-butyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-tert-butyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-allylsulfanyl-3-benzyl-7-tert-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 7-tert-butyl-3-(phenylmethyl)-2-(prop-2-enylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-benzyl-7-tert-butyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(allylthio)-3-benzyl-7-tert-butyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H28N2OS2 MolecularWeight: 424.62192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2OS2/c1-5-13-28-23-25-21-20(22(27)26(23)15-16-9-7-6-8-10-16)18-12-11-17(24(2,3)4)14-19(18)29-21/h5-10,17H,1,11-15H2,2-4H3