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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]thiourea Traditional Name: 1-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-piperonyl-thiourea Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4S/c1-3-24-18-8-15-6-13(2)27-19(15)9-16(18)11-23-21(28)22-10-14-4-5-17-20(7-14)26-12-25-17/h4-5,7-9,13H,3,6,10-12H2,1-2H3,(H2,22,23,28)/t13-/m0/s1