2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(1H-benzimidazol-2-ylmethylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC5=C2CCCC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC5=C2CCCC5

InChI

InChI=1S/C21H20N4OS2/c1-2-11-25-20(26)18-13-7-3-6-10-16(13)28-19(18)24-21(25)27-12-17-22-14-8-4-5-9-15(14)23-17/h2,4-5,8-9H,1,3,6-7,10-12H2,(H,22,23)