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

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butyramide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O4S/c1-13-10-17(11-14(2)20(13)22)29-9-3-4-19(26)24-21-23-18(12-30-21)15-5-7-16(8-6-15)25(27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24,26)