3,5-dinitro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[4-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C22H18N4O7S MolecularWeight: 482.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O7S/c27-21(15-12-17(25(28)29)14-18(13-15)26(30)31)24-22(34)23-16-6-8-20(9-7-16)33-11-10-32-19-4-2-1-3-5-19/h1-9,12-14H,10-11H2,(H2,23,24,27,34)