2-(4-tert-butylphenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]acetamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5S/c1-20(2,3)13-5-7-14(8-6-13)30-11-17(26)22-19(31)24-23-18(27)12-4-9-15(21)16(10-12)25(28)29/h4-10H,11H2,1-3H3,(H,23,27)(H2,22,24,26,31)