6-[2-(1-propylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-propylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-propylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-propyl-2-imidazolyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-propylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-propylimidazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCN1C=CN=C1SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H19N3O3S/c1-3-7-20-8-6-18-17(20)24-11(2)16(22)12-4-5-14-13(9-12)19-15(21)10-23-14/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,19,21)