6-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cyclopropyl-2-(3,5-dimethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cyclopropyl-2-(3,5-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=CC(=CC(=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CC5)C

Isomeric SMILES

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

InChI

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