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

Systemtic Name: 6-[2-(4-ethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-ethylphenyl)imino-3-phenethyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-ethylphenyl)imino-3-phenethyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-ethylphenyl)imino-3-phenethyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-ethylphenyl)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:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCC5=CC=CC=C5

InChI

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