(2R)-4-[(4-fluorophenyl)methylcarbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(4-fluorophenyl)methylcarbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(4-fluorophenyl)methylcarbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(4-fluorophenyl)methylcarbamothioyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(4-fluorobenzyl)thiocarbamoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2S/c1-20-17(23)16-11-22(14-4-2-3-5-15(14)24-16)18(25)21-10-12-6-8-13(19)9-7-12/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,25)/t16-/m1/s1