3-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4S)-6-fluorothiochroman-4-yl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4S)-6-fluorothiochroman-4-yl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H23FN3S2+ MolecularWeight: 328.491623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1CCSC2=C1C=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)N[C@H]1CCSC2=C1C=C(C=C2)F

InChI

InChI=1S/C15H22FN3S2/c1-19(2)8-3-7-17-15(20)18-13-6-9-21-14-5-4-11(16)10-12(13)14/h4-5,10,13H,3,6-9H2,1-2H3,(H2,17,18,20)/p+1/t13-/m0/s1