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

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-3-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/c1-2-3-11-27-17-9-7-14(8-10-17)18-13-28-20(21-18)22-19(24)15-5-4-6-16(12-15)23(25)26/h4-10,12-13H,2-3,11H2,1H3,(H,21,22,24)