6-tert-butyl-4-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiazol-2-yl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-thiazolyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O5S/c1-27(2,3)18-4-9-23-22(14-18)31(25(33)16-37-23)15-24-28-21(17-38-24)26(34)30-12-10-29(11-13-30)19-5-7-20(8-6-19)32(35)36/h4-9,14,17H,10-13,15-16H2,1-3H3