N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]propanamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]propanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]propanamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]propanamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]propionamide Formula: C11H11ClN4O4S MolecularWeight: 330.74744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O4S/c1-2-9(17)13-11(21)15-14-10(18)6-3-4-7(12)8(5-6)16(19)20/h3-5H,2H2,1H3,(H,14,18)(H2,13,15,17,21)