3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-morpholinosulfonyl-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-(4-morpholinylsulfonyl)-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-morpholinosulfonyl-N-[(3-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c23-17(20-18(29)19-14-4-2-5-15(12-14)22(24)25)13-3-1-6-16(11-13)30(26,27)21-7-9-28-10-8-21/h1-6,11-12H,7-10H2,(H2,19,20,23,29)