2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N-[4-[(3-nitrophenyl)carbonylamino]cyclohexyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N-[4-[(3-nitrophenyl)carbonylamino]cyclohexyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[4-[(3-nitrobenzoyl)amino]cyclohexyl]thiazole-4-carboxamide CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-[[(3-nitrophenyl)-oxomethyl]amino]cyclohexyl]-4-thiazolecarboxamide IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-[(3-nitrobenzoyl)amino]cyclohexyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[4-[(3-nitrobenzoyl)amino]cyclohexyl]thiazole-4-carboxamide Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=CS2)C(=O)NC3CCC(CC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=CS2)C(=O)NC3CCC(CC3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O5S/c1-17(2)23-12-7-18(3)13-25(23)37-15-26-31-24(16-38-26)28(34)30-21-10-8-20(9-11-21)29-27(33)19-5-4-6-22(14-19)32(35)36/h4-7,12-14,16-17,20-21H,8-11,15H2,1-3H3,(H,29,33)(H,30,34)