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

Systemtic Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-phenethyl-thiourea Openeye Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-phenethyl-thiourea CAS Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-phenethylthiourea IUPAC Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-phenethylthiourea Traditional Name: 1-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-3-24-19-12-17-11-15(2)25-20(17)13-18(19)14-23-21(26)22-10-9-16-7-5-4-6-8-16/h4-8,12-13,15H,3,9-11,14H2,1-2H3,(H2,22,23,26)/t15-/m0/s1