3,5-dinitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[(4-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(4-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C22H18N4O6S MolecularWeight: 466.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18N4O6S/c27-21(16-12-18(25(28)29)14-19(13-16)26(30)31)24-22(33)23-17-6-8-20(9-7-17)32-11-10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H2,23,24,27,33)