N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-pentoxy-benzamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-pentoxy-benzamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-4-pentoxy-benzamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-4-pentoxybenzamide IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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