N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

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