2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-N-propylacetamide IUPAC Name: 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-N-propyl-acetamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC=C(N1CC)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC(=O)CSC1=NC=C(N1CC)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H23N3O3S/c1-3-7-19-17(22)12-25-18-20-11-14(21(18)4-2)13-5-6-15-16(10-13)24-9-8-23-15/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H,19,22)