N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

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