2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N4O6S/c24-17(21-19(30)20-15-4-2-1-3-13(15)18(25)26)14-11-12(23(27)28)5-6-16(14)22-7-9-29-10-8-22/h1-6,11H,7-10H2,(H,25,26)(H2,20,21,24,30)