N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-methoxy-3-nitro-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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