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

Systemtic Name: 4-(2-ethoxyethoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-(2-ethoxyethoxy)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-(2-ethoxyethoxy)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-ethoxyethoxy)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-(2-ethoxyethoxy)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O6S/c1-2-26-9-10-27-14-6-3-12(4-7-14)17(23)20-18(28)19-15-8-5-13(21(24)25)11-16(15)22/h3-8,11,22H,2,9-10H2,1H3,(H2,19,20,23,28)