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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C19H21FN2O2S/c1-3-22(19(25)21-14-9-8-13(2)16(20)10-14)11-15-12-23-17-6-4-5-7-18(17)24-15/h4-10,15H,3,11-12H2,1-2H3,(H,21,25)/t15-/m0/s1