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

Systemtic Name: 6-[2-(2,6-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,6-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2,6-dimethylphenyl)imino-3-[3-(1-imidazolyl)propyl]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,6-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2,6-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

InChI

InChI=1S/C25H25N5O2S/c1-17-5-3-6-18(2)24(17)28-25-30(11-4-10-29-12-9-26-16-29)21(15-33-25)19-7-8-22-20(13-19)27-23(31)14-32-22/h3,5-9,12-13,15-16H,4,10-11,14H2,1-2H3,(H,27,31)