N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(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=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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