6-[3-(3-imidazol-1-ylpropyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-isopropylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[3-(1-imidazolyl)propyl]-2-(4-propan-2-ylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(3-imidazol-1-ylpropyl)-2-p-cumenylimino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

InChI

InChI=1S/C26H27N5O2S/c1-18(2)19-4-7-21(8-5-19)28-26-31(12-3-11-30-13-10-27-17-30)23(16-34-26)20-6-9-24-22(14-20)29-25(32)15-33-24/h4-10,13-14,16-18H,3,11-12,15H2,1-2H3,(H,29,32)