N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C22H16ClN5O5S MolecularWeight: 497.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN5O5S/c23-17-11-8-15(12-18(17)28(32)33)20(30)25-22(34)27-26-21(31)14-6-9-16(10-7-14)24-19(29)13-4-2-1-3-5-13/h1-12H,(H,24,29)(H,26,31)(H2,25,27,30,34)