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

Systemtic Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]thiourea CAS Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea Traditional Name: 1-benzyl-3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]thiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-3-23-18-10-16-9-14(2)24-19(16)11-17(18)13-22-20(25)21-12-15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3,(H2,21,22,25)/t14-/m0/s1