N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-[(phenylmethyl)carbamoylamino]ethanamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-2-[(phenylmethyl)carbamoylamino]ethanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[(4S)-8-fluorothiochroman-4-yl]acetamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]acetamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]acetamide Traditional Name: 2-(benzylcarbamoylamino)-N-[(4S)-8-fluorothiochroman-4-yl]acetamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CNC(=O)NCC3=CC=CC=C3)C=CC=C2F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)CNC(=O)NCC3=CC=CC=C3)C=CC=C2F

InChI

InChI=1S/C19H20FN3O2S/c20-15-8-4-7-14-16(9-10-26-18(14)15)23-17(24)12-22-19(25)21-11-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,23,24)(H2,21,22,25)/t16-/m0/s1