1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-[3-(methylthio)propyl]thiourea Formula: C14H19FN2S3 MolecularWeight: 330.507463

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1CCSC2=C1C=C(C=C2)F

Isomeric SMILES

CSCCCNC(=S)N[C@H]1CCSC2=C1C=C(C=C2)F

InChI

InChI=1S/C14H19FN2S3/c1-19-7-2-6-16-14(18)17-12-5-8-20-13-4-3-10(15)9-11(12)13/h3-4,9,12H,2,5-8H2,1H3,(H2,16,17,18)/t12-/m0/s1