N-(4-bromanyl-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C19H18BrFN2O2S MolecularWeight: 437.325823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H18BrFN2O2S/c1-11-8-13(20)4-7-15(11)22-18(24)16-10-26-17(19(25)23-16)9-12-2-5-14(21)6-3-12/h2-8,16-17H,9-10H2,1H3,(H,22,24)(H,23,25)