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

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O4S/c17-9-11-2-1-3-12(8-11)18-16(25)19-15(21)10-24-14-6-4-13(5-7-14)20(22)23/h1-8H,10H2,(H2,18,19,21,25)