6-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c29-22(18-10-11-23-20(14-18)26-24(30)15-31-23)16-32-25-27-19-8-4-5-9-21(19)28(25)13-12-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,26,30)