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

Systemtic Name: 3,5-dinitro-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[4-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=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)CCCOC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S/c28-22(17-13-19(26(29)30)15-20(14-17)27(31)32)25-23(34)24-18-8-10-21(11-9-18)33-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13-15H,4,7,12H2,(H2,24,25,28,34)