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

Systemtic Name: 1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(4S)-thiochroman-4-yl]thiourea CAS Name: 1-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(4S)-thiochroman-4-yl]thiourea Formula: C17H17FN2S2 MolecularWeight: 332.458683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CCSC3=CC=CC=C23)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N[C@H]2CCSC3=CC=CC=C23)F

InChI

InChI=1S/C17H17FN2S2/c1-11-6-7-12(10-14(11)18)19-17(21)20-15-8-9-22-16-5-3-2-4-13(15)16/h2-7,10,15H,8-9H2,1H3,(H2,19,20,21)/t15-/m0/s1