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

Systemtic Name: 6-[3-(3-methylbutyl)-2-(3-methylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isopentyl-2-(m-tolylimino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(3-methylbutyl)-2-(3-methylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-methylbutyl)-2-(3-methylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isoamyl-2-(m-tolylimino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-15(2)9-10-26-20(14-29-23(26)24-18-6-4-5-16(3)11-18)17-7-8-21-19(12-17)25-22(27)13-28-21/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,25,27)