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

Systemtic Name: 2-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4S)-6-fluorothiochroman-4-yl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4S)-6-fluorothiochroman-4-yl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H21FN3S2+ MolecularWeight: 314.465043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3S2/c1-18(2)7-6-16-14(19)17-12-5-8-20-13-4-3-10(15)9-11(12)13/h3-4,9,12H,5-8H2,1-2H3,(H2,16,17,19)/p+1/t12-/m0/s1