3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-morpholino-3-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)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

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