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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H25FN3OS2+ MolecularWeight: 370.528303

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=S)NCCC[NH+]3CCOCC3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=S)NCCC[NH+]3CCOCC3)C=C(C=C2)F

InChI

InChI=1S/C17H24FN3OS2/c18-13-2-3-16-14(12-13)15(4-11-24-16)20-17(23)19-5-1-6-21-7-9-22-10-8-21/h2-3,12,15H,1,4-11H2,(H2,19,20,23)/p+1/t15-/m0/s1