N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7S/c1-2-28-7-8-29-16-5-3-13(4-6-16)19-18(30)20-17(23)12-9-14(21(24)25)11-15(10-12)22(26)27/h3-6,9-11H,2,7-8H2,1H3,(H2,19,20,23,30)