N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N3O5S/c26-20-14-17(25(28)29)9-10-19(20)23-22(31)24-21(27)16-7-4-8-18(13-16)30-12-11-15-5-2-1-3-6-15/h1-10,13-14,26H,11-12H2,(H2,23,24,27,31)