N-[(3-nitrophenyl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[(3-nitroanilino)-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(3-nitrophenyl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(3-nitrophenyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3S/c19-14(9-11-5-2-1-3-6-11)17-15(22)16-12-7-4-8-13(10-12)18(20)21/h1-8,10H,9H2,(H2,16,17,19,22)