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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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