6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cyclopropyl-2-(2,6-dimethylphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CC5

InChI

InChI=1S/C22H21N3O2S/c1-13-4-3-5-14(2)21(13)24-22-25(16-7-8-16)18(12-28-22)15-6-9-19-17(10-15)23-20(26)11-27-19/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,23,26)