N-(4-chloranyl-2-fluoranyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-(2-morpholino-2-oxo-ethyl)sulfanyl-3-nitro-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-4-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[(2-keto-2-morpholino-ethyl)thio]-3-nitro-benzamide Formula: C19H17ClFN3O5S MolecularWeight: 453.871783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClFN3O5S/c20-13-2-3-15(14(21)10-13)22-19(26)12-1-4-17(16(9-12)24(27)28)30-11-18(25)23-5-7-29-8-6-23/h1-4,9-10H,5-8,11H2,(H,22,26)