N-(2-bromanyl-4-fluoranyl-phenyl)-2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(2-bromo-4-fluorophenyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(2-bromo-4-fluorophenyl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(2-bromo-4-fluoro-phenyl)morpholine-4-carbothioamide Formula: C21H22BrFN2O3S MolecularWeight: 481.378383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=C(C=C(C=C3)F)Br)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=C(C=C(C=C3)F)Br)C(=O)C

InChI

InChI=1S/C21H22BrFN2O3S/c1-13-9-16(4-5-18(13)14(2)26)28-12-17-11-25(7-8-27-17)21(29)24-20-6-3-15(23)10-19(20)22/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,24,29)