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

Systemtic Name: 6-[2-(2,6-dimethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,6-dimethylphenyl)imino-3-phenethyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2,6-dimethylphenyl)imino-3-phenethyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,6-dimethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2,6-dimethylphenyl)imino-3-phenethyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-18-7-6-8-19(2)26(18)29-27-30(14-13-20-9-4-3-5-10-20)23(17-33-27)21-11-12-24-22(15-21)28-25(31)16-32-24/h3-12,15,17H,13-14,16H2,1-2H3,(H,28,31)