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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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