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

Systemtic Name: 4-tert-butyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4S/c1-19(2,3)13-7-4-11(5-8-13)16(25)21-18(29)23-22-17(26)12-6-9-14(20)15(10-12)24(27)28/h4-10H,1-3H3,(H,22,26)(H2,21,23,25,29)