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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCC2=C(C=C3CC(OC3=C2)C)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCC2=C(C=C3C[C@@H](OC3=C2)C)OCC

InChI

InChI=1S/C21H26N2O2S/c1-4-15-7-6-8-18(10-15)23-21(26)22-13-17-12-20-16(9-14(3)25-20)11-19(17)24-5-2/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H2,22,23,26)/t14-/m0/s1