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

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N-[3-[(3-nitrophenyl)carbonylamino]propyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[3-[(3-nitrobenzoyl)amino]propyl]thiazole-4-carboxamide CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-[[(3-nitrophenyl)-oxomethyl]amino]propyl]-4-thiazolecarboxamide IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3-[(3-nitrobenzoyl)amino]propyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[3-[(3-nitrobenzoyl)amino]propyl]thiazole-4-carboxamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=CS2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NC(=CS2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5S/c1-16(2)20-9-8-17(3)12-22(20)34-14-23-28-21(15-35-23)25(31)27-11-5-10-26-24(30)18-6-4-7-19(13-18)29(32)33/h4,6-9,12-13,15-16H,5,10-11,14H2,1-3H3,(H,26,30)(H,27,31)