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

Systemtic Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamine CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(1-methyl-2-imidazolyl)thio]ethanamine IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(1-methylimidazol-2-yl)sulfanylethanamine Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

CN1C=CN=C1SCCNCC2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C15H19N3O3S/c1-18-5-3-17-15(18)22-6-4-16-9-11-7-12(19-2)14-13(8-11)20-10-21-14/h3,5,7-8,16H,4,6,9-10H2,1-2H3