N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine

Systemtic Name: N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)OC)OCCO3

Isomeric SMILES

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)OC)OCCO3

InChI

InChI=1S/C16H21N3O3S/c1-19-5-3-18-16(19)23-8-4-17-11-12-9-13(20-2)15-14(10-12)21-6-7-22-15/h3,5,9-10,17H,4,6-8,11H2,1-2H3