N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O5S/c1-2-9-25-15-6-4-3-5-12(15)16(22)19-17(26)18-13-10-11(20(23)24)7-8-14(13)21/h3-8,10,21H,2,9H2,1H3,(H2,18,19,22,26)