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

Systemtic Name: 4-(2,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(2,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(2,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(2,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(2,5-dimethylphenoxy)-N-[4-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14-8-9-15(2)19(11-14)28-10-4-7-20(25)23-21-22-18(13-29-21)16-5-3-6-17(12-16)24(26)27/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3,(H,22,23,25)