1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-2-yl-methanamine

Systemtic Name: 1-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-2-yl-methanamine Openeye Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(2-thienyl)methanamine CAS Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-2-ylmethanamine IUPAC Name: 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-thiophen-2-ylmethanamine Traditional Name: [(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-thienyl)methyl]-methyl-amine Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC=CS1)C2=CC3=C(C=C2Br)OCCCO3

Isomeric SMILES

CNC(C1=CC=CS1)C2=CC3=C(C=C2Br)OCCCO3

InChI

InChI=1S/C15H16BrNO2S/c1-17-15(14-4-2-7-20-14)10-8-12-13(9-11(10)16)19-6-3-5-18-12/h2,4,7-9,15,17H,3,5-6H2,1H3