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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-[2-(phenylthio)ethyl]thiourea Formula: C18H19FN2S3 MolecularWeight: 378.550263

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=S)NCCSC3=CC=CC=C3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=S)NCCSC3=CC=CC=C3)C=C(C=C2)F

InChI

InChI=1S/C18H19FN2S3/c19-13-6-7-17-15(12-13)16(8-10-24-17)21-18(22)20-9-11-23-14-4-2-1-3-5-14/h1-7,12,16H,8-11H2,(H2,20,21,22)/t16-/m0/s1