2-(4-chlorophenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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