N-[(4-butoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c1-2-3-8-28-16-6-4-13(5-7-16)19-18(29)20-17(23)12-9-14(21(24)25)11-15(10-12)22(26)27/h4-7,9-11H,2-3,8H2,1H3,(H2,19,20,23,29)