1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethylphenyl)thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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