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

Systemtic Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-12(2)7-13-3-5-14(6-4-13)18-11-30-20(21-18)22-19(25)15-8-16(23(26)27)10-17(9-15)24(28)29/h3-6,8-12H,7H2,1-2H3,(H,21,22,25)