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

Systemtic Name: 6-[2-(3,4-dimethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3,4-dimethylphenyl)imino-3-phenethyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(3,4-dimethylphenyl)imino-3-phenethyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3,4-dimethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(3,4-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=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCC5=CC=CC=C5)C

Isomeric SMILES

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

InChI

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