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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H23N5O7S MolecularWeight: 489.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O7S/c1-2-3-4-5-10-33-18-8-6-14(7-9-18)20(28)23-24-21(34)22-19(27)15-11-16(25(29)30)13-17(12-15)26(31)32/h6-9,11-13H,2-5,10H2,1H3,(H,23,28)(H2,22,24,27,34)