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

Systemtic Name: 3-phenethyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-allylsulfanyl-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-phenethyl-2-(prop-2-enylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-phenethyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(allylthio)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS2/c1-2-14-25-21-22-19-18(16-10-6-7-11-17(16)26-19)20(24)23(21)13-12-15-8-4-3-5-9-15/h2-5,8-9H,1,6-7,10-14H2