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

Systemtic Name: 2-heptylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-heptylsulfanyl-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(heptylthio)-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-heptylsulfanyl-3-phenethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(heptylthio)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H32N2OS2 MolecularWeight: 440.66438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2OS2/c1-2-3-4-5-11-18-29-25-26-23-22(20-14-9-10-15-21(20)30-23)24(28)27(25)17-16-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3