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

Systemtic Name: (2R)-4-[3-(4-fluorophenyl)sulfanylpropanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[3-(4-fluorophenyl)sulfanylpropanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[3-[(4-fluorophenyl)thio]-1-oxopropyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[3-(4-fluorophenyl)sulfanylpropanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[3-[(4-fluorophenyl)thio]propanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-2-12-23-21(26)19-14-24(17-5-3-4-6-18(17)27-19)20(25)11-13-28-16-9-7-15(22)8-10-16/h3-10,19H,2,11-14H2,1H3,(H,23,26)/t19-/m1/s1