N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-propylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(1-propyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-propylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(1-propylimidazol-2-yl)thio]acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H21N3O3S/c1-2-8-20-9-7-18-17(20)24-12-16(21)19-10-13-11-22-14-5-3-4-6-15(14)23-13/h3-7,9,13H,2,8,10-12H2,1H3,(H,19,21)/t13-/m0/s1