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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N3O6S/c26-20-11-8-16(25(28)29)14-19(20)23-22(32)24-21(27)15-6-9-18(10-7-15)31-13-12-30-17-4-2-1-3-5-17/h1-11,14,26H,12-13H2,(H2,23,24,27,32)