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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2COC3=CC=CC=C3O2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H]2COC3=CC=CC=C3O2)F

InChI

InChI=1S/C17H17FN2O2S/c1-11-6-7-12(8-14(11)18)20-17(23)19-9-13-10-21-15-4-2-3-5-16(15)22-13/h2-8,13H,9-10H2,1H3,(H2,19,20,23)/t13-/m0/s1