N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)13-10-8-12(9-11-13)16(24)21-22-18(28)20-17(25)14-6-4-5-7-15(14)23(26)27/h4-11H,1-3H3,(H,21,24)(H2,20,22,25,28)