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

Systemtic Name: N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-morpholinosulfonylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O8S2 MolecularWeight: 495.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O8S2/c24-17(12-9-14(22(25)26)11-15(10-12)23(27)28)20-18(32)19-13-1-3-16(4-2-13)33(29,30)21-5-7-31-8-6-21/h1-4,9-11H,5-8H2,(H2,19,20,24,32)