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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C17H16F2N2S2 MolecularWeight: 350.449146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CCSC3=C2C=C(C=C3)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N[C@H]2CCSC3=C2C=C(C=C3)F)F

InChI

InChI=1S/C17H16F2N2S2/c1-10-2-4-12(9-14(10)19)20-17(22)21-15-6-7-23-16-5-3-11(18)8-13(15)16/h2-5,8-9,15H,6-7H2,1H3,(H2,20,21,22)/t15-/m0/s1