N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(4-ethoxyphenyl)-5-propyl-thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(4-ethoxyphenyl)-5-propyl-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-(4-p-phenetyl-5-propyl-thiazol-2-yl)benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCC1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H21N3O4S/c1-3-5-18-19(14-8-12-17(13-9-14)28-4-2)22-21(29-18)23-20(25)15-6-10-16(11-7-15)24(26)27/h6-13H,3-5H2,1-2H3,(H,22,23,25)