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

Systemtic Name: 6-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H15N3O3S2/c26-17(13-7-8-18-16(10-13)23-20(27)11-28-18)12-30-22-14-4-1-2-5-15(14)24-21(25-22)19-6-3-9-29-19/h1-10H,11-12H2,(H,23,27)