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

Systemtic Name: 3,5-dinitro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7S/c24-18(12-8-14(22(25)26)10-15(9-12)23(27)28)21-19(31)20-13-3-5-16(6-4-13)30-11-17-2-1-7-29-17/h3-6,8-10,17H,1-2,7,11H2,(H2,20,21,24,31)