2-[(4-methylphenoxy)methyl]-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-methylphenoxy)methyl]-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-methylphenoxy)methyl]-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(4-methylphenoxy)methyl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-methylphenoxy)methyl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S2/c1-14-3-5-15(6-4-14)31-12-20-24-18(13-32-20)21(26)23-10-9-22-17-8-7-16(33(2,29)30)11-19(17)25(27)28/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,23,26)