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

Systemtic Name: 6-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-methylbenzimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-methylbenzimidazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C19H17N3O3S/c1-11(26-19-21-13-5-3-4-6-15(13)22(19)2)18(24)12-7-8-16-14(9-12)20-17(23)10-25-16/h3-9,11H,10H2,1-2H3,(H,20,23)