N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C26H24ClN5O5S MolecularWeight: 554.01726

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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(=C(C=C3)Cl)[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(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H24ClN5O5S/c1-26(2,3)18-9-4-15(5-10-18)22(33)28-19-11-6-16(7-12-19)24(35)30-31-25(38)29-23(34)17-8-13-20(27)21(14-17)32(36)37/h4-14H,1-3H3,(H,28,33)(H,30,35)(H2,29,31,34,38)