N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H17N5O7S MolecularWeight: 459.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S/c25-17(12-9-13(23(27)28)11-14(10-12)24(29)30)21-19(32)20-16-4-2-1-3-15(16)18(26)22-5-7-31-8-6-22/h1-4,9-11H,5-8H2,(H2,20,21,25,32)