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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methyl-phenyl)-1-methyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methylphenyl)-1-methylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methylphenyl)-1-methylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-fluoro-4-methyl-phenyl)-1-methyl-thiourea Formula: C18H19FN2O2S MolecularWeight: 346.419063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2COC3=CC=CC=C3O2)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O2S/c1-12-7-8-13(9-15(12)19)20-18(24)21(2)10-14-11-22-16-5-3-4-6-17(16)23-14/h3-9,14H,10-11H2,1-2H3,(H,20,24)/t14-/m0/s1