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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C16H23FN3OS2+ MolecularWeight: 356.501723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3OS2/c17-12-1-2-15-13(11-12)14(3-10-23-15)19-16(22)18-4-5-20-6-8-21-9-7-20/h1-2,11,14H,3-10H2,(H2,18,19,22)/p+1/t14-/m0/s1