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

Systemtic Name: 2-hexylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-hexylsulfanyl-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(hexylthio)-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-hexylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(hexylthio)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2OS2/c1-2-3-4-10-17-28-24-25-22-21(19-13-8-9-14-20(19)29-22)23(27)26(24)16-15-18-11-6-5-7-12-18/h5-7,11-12H,2-4,8-10,13-17H2,1H3