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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2S/c1-17-11-18(2)13-22(12-17)28-27-30(19(3)20-7-5-4-6-8-20)24(16-33-27)21-9-10-25-23(14-21)29-26(31)15-32-25/h4-14,16,19H,15H2,1-3H3,(H,29,31)