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

Systemtic Name: N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C26H25N5O5S MolecularWeight: 519.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O5S/c1-26(2,3)18-12-8-16(9-13-18)22(32)27-19-14-10-17(11-15-19)23(33)29-30-25(37)28-24(34)20-6-4-5-7-21(20)31(35)36/h4-15H,1-3H3,(H,27,32)(H,29,33)(H2,28,30,34,37)