1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-piperonyl-thiourea Formula: C18H17FN2O2S2 MolecularWeight: 376.468183

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=S)NCC3=CC4=C(C=C3)OCO4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=S)NCC3=CC4=C(C=C3)OCO4)C=C(C=C2)F

InChI

InChI=1S/C18H17FN2O2S2/c19-12-2-4-17-13(8-12)14(5-6-25-17)21-18(24)20-9-11-1-3-15-16(7-11)23-10-22-15/h1-4,7-8,14H,5-6,9-10H2,(H2,20,21,24)/t14-/m0/s1