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

Systemtic Name: 6-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(m-tolyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(m-tolyl)imidazol-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H19N3O3S/c1-13-4-3-5-16(10-13)24-9-8-22-21(24)28-14(2)20(26)15-6-7-18-17(11-15)23-19(25)12-27-18/h3-11,14H,12H2,1-2H3,(H,23,25)