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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C17H15ClN4O5S MolecularWeight: 422.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c1-10-3-2-4-12(7-10)27-9-15(23)19-17(28)21-20-16(24)11-5-6-13(18)14(8-11)22(25)26/h2-8H,9H2,1H3,(H,20,24)(H2,19,21,23,28)