1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O2S/c1-5-24-19-10-16-9-15(4)25-20(16)11-17(19)12-22-21(26)23-18-7-13(2)6-14(3)8-18/h6-8,10-11,15H,5,9,12H2,1-4H3,(H2,22,23,26)/t15-/m0/s1