N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: 2,4-dinitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: 2,4-dinitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S/c1-3-12(2)13-4-6-14(7-5-13)17-11-30-20(21-17)22-19(25)16-9-8-15(23(26)27)10-18(16)24(28)29/h4-12H,3H2,1-2H3,(H,21,22,25)