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

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O6S/c1-19(2,3)13-6-4-11(5-7-13)17(26)21-22-18(31)20-16(25)12-8-14(23(27)28)10-15(9-12)24(29)30/h4-10H,1-3H3,(H,21,26)(H2,20,22,25,31)