4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(2,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-14-5-6-15(2)19(12-14)28-11-3-4-20(25)23-21-22-18(13-29-21)16-7-9-17(10-8-16)24(26)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,23,25)