N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O5S/c1-2-3-4-11-27-15-8-5-13(6-9-15)18(24)21-19(28)20-16-12-14(22(25)26)7-10-17(16)23/h5-10,12,23H,2-4,11H2,1H3,(H2,20,21,24,28)