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

Systemtic Name: N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-2-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=C2C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

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