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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(4S)-6-fluorothiochroman-4-yl]-3-(4-methoxyphenyl)thiourea Formula: C17H17FN2OS2 MolecularWeight: 348.458083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N[C@H]2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C17H17FN2OS2/c1-21-13-5-3-12(4-6-13)19-17(22)20-15-8-9-23-16-7-2-11(18)10-14(15)16/h2-7,10,15H,8-9H2,1H3,(H2,19,20,22)/t15-/m0/s1