(2R)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(3-fluoro-4-methylphenyl)carbamothioyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C20H22FN3O2S/c1-3-10-22-19(25)18-12-24(16-6-4-5-7-17(16)26-18)20(27)23-14-9-8-13(2)15(21)11-14/h4-9,11,18H,3,10,12H2,1-2H3,(H,22,25)(H,23,27)/t18-/m1/s1