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

Systemtic Name: 6-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-phenyl-2-imidazolyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-phenylimidazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-13(27-20-21-9-10-23(20)15-5-3-2-4-6-15)19(25)14-7-8-17-16(11-14)22-18(24)12-26-17/h2-11,13H,12H2,1H3,(H,22,24)