6-[(4-fluorophenyl)methyl]-N-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: 6-[(4-fluorophenyl)methyl]-N-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: 6-[(4-fluorophenyl)methyl]-N-(4-methyl-3-nitro-phenyl)-5-oxo-thiomorpholine-3-carboxamide CAS Name: 6-[(4-fluorophenyl)methyl]-N-(4-methyl-3-nitrophenyl)-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: 6-[(4-fluorophenyl)methyl]-N-(4-methyl-3-nitrophenyl)-5-oxothiomorpholine-3-carboxamide Traditional Name: 6-(4-fluorobenzyl)-5-keto-N-(4-methyl-3-nitro-phenyl)thiomorpholine-3-carboxamide Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O4S/c1-11-2-7-14(9-16(11)23(26)27)21-18(24)15-10-28-17(19(25)22-15)8-12-3-5-13(20)6-4-12/h2-7,9,15,17H,8,10H2,1H3,(H,21,24)(H,22,25)