N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

Systemtic Name: N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine Openeye Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine CAS Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2,5-dimethyl-3-thiophenyl)ethanamine IUPAC Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[1-(2,5-dimethyl-3-thienyl)ethyl]amine Formula: C16H18BrNO2S MolecularWeight: 368.28862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NCC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NCC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C16H18BrNO2S/c1-9-4-13(11(3)21-9)10(2)18-7-12-5-14(17)16-15(6-12)19-8-20-16/h4-6,10,18H,7-8H2,1-3H3