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

Systemtic Name: 2-chloranyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-chloro-4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O6S/c20-14-10-12(2-3-13(14)18(26)27)21-19(31)22-17(25)11-1-4-15(16(9-11)24(28)29)23-5-7-30-8-6-23/h1-4,9-10H,5-8H2,(H,26,27)(H2,21,22,25,31)