4-chloranyl-3-nitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O4S/c17-12-7-6-11(9-13(12)21(24)25)15(23)18-16(26)20-19-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,22)(H2,18,20,23,26)