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

Systemtic Name: 6-[2-(2,5-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,5-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2,5-dimethylphenyl)imino-3-[3-(1-imidazolyl)propyl]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,5-dimethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2,5-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=CC(=C(C=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-17-4-5-18(2)20(12-17)28-25-30(10-3-9-29-11-8-26-16-29)22(15-33-25)19-6-7-23-21(13-19)27-24(31)14-32-23/h4-8,11-13,15-16H,3,9-10,14H2,1-2H3,(H,27,31)