N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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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)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6S/c1-3-4-9-31-16-7-5-14(6-8-16)17-12-32-21(22-17)23-20(26)15-10-18(24(27)28)13(2)19(11-15)25(29)30/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,23,26)