N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-isobutoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-isobutoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-11(2)10-28-16-5-3-4-13(8-16)19-18(29)20-17(23)12-6-14(21(24)25)9-15(7-12)22(26)27/h3-9,11H,10H2,1-2H3,(H2,19,20,23,29)