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

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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