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

Systemtic Name: N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(2-methylallyloxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-(2-methylallyloxy)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16N4O6S MolecularWeight: 416.40784

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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/C18H16N4O6S/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/h3-9H,1,10H2,2H3,(H2,19,20,23,29)