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

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-nitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-2-nitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-nitro-benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-2-3-12-27-15-10-8-14(9-11-15)17-13-28-20(21-17)22-19(24)16-6-4-5-7-18(16)23(25)26/h4-11,13H,2-3,12H2,1H3,(H,21,22,24)