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

Systemtic Name: 1-butyl-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-butyl-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-butyl-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-butyl-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-butyl-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C14H19FN2S2 MolecularWeight: 298.442463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2S2/c1-2-3-7-16-14(18)17-12-6-8-19-13-5-4-10(15)9-11(12)13/h4-5,9,12H,2-3,6-8H2,1H3,(H2,16,17,18)/t12-/m0/s1