3,5-dinitro-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7S/c24-18(12-7-14(22(25)26)10-15(8-12)23(27)28)21-19(31)20-13-3-1-4-16(9-13)30-11-17-5-2-6-29-17/h1,3-4,7-10,17H,2,5-6,11H2,(H2,20,21,24,31)