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

Systemtic Name: 6-[3-butan-2-yl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-ethylphenyl)imino-3-sec-butyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-butan-2-yl-2-(4-ethylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-butan-2-yl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-ethylphenyl)imino-3-sec-butyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C(C)CC

InChI

InChI=1S/C23H25N3O2S/c1-4-15(3)26-20(17-8-11-21-19(12-17)25-22(27)13-28-21)14-29-23(26)24-18-9-6-16(5-2)7-10-18/h6-12,14-15H,4-5,13H2,1-3H3,(H,25,27)