N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O5S/c1-10(23)18-12-8-6-11(7-9-12)15(24)20-21-17(28)19-16(25)13-4-2-3-5-14(13)22(26)27/h2-9H,1H3,(H,18,23)(H,20,24)(H2,19,21,25,28)