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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-(o-tolyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-(o-tolyl)thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(C)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H20N2O2S/c1-13-7-3-4-8-15(13)19-18(23)20(2)11-14-12-21-16-9-5-6-10-17(16)22-14/h3-10,14H,11-12H2,1-2H3,(H,19,23)/t14-/m0/s1