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

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-3-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)18-13-7-5-11(6-8-13)16(25)20-21-17(28)19-15(24)12-3-2-4-14(9-12)22(26)27/h2-9H,1H3,(H,18,23)(H,20,25)(H2,19,21,24,28)