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

Systemtic Name: N-[[(3-chlorophenyl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[(3-chlorobenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[(3-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[(3-chlorobenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[(3-chlorobenzoyl)amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c17-11-3-1-2-10(8-11)15(23)19-20-16(27)18-14(22)9-26-13-6-4-12(5-7-13)21(24)25/h1-8H,9H2,(H,19,23)(H2,18,20,22,27)