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

Systemtic Name: N-[(4-ethoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-ethoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-ethoxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-ethoxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(p-phenetylthiocarbamoyl)benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S/c1-2-26-14-5-3-11(4-6-14)17-16(27)18-15(21)10-7-12(19(22)23)9-13(8-10)20(24)25/h3-9H,2H2,1H3,(H2,17,18,21,27)