N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-chroman-4-yl-acetamide CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]acetamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-chroman-4-yl-acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)CN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c29-24(26-20-14-15-30-23-13-7-4-10-19(20)23)16-28-22-12-6-5-11-21(22)27-25(28)31-17-18-8-2-1-3-9-18/h1-13,20H,14-17H2,(H,26,29)