6-[3-(3-bromanylcyclohexa-1,3-dien-1-yl)-2-methylsulfanyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine

Systemtic Name: 6-[3-(3-bromanylcyclohexa-1,3-dien-1-yl)-2-methylsulfanyl-phenoxy]-N-methyl-N-prop-2-enyl-hexan-1-amine Openeye Name: N-allyl-6-[3-(3-bromocyclohexa-1,3-dien-1-yl)-2-methylsulfanyl-phenoxy]-N-methyl-hexan-1-amine CAS Name: 6-[3-(3-bromo-1-cyclohexa-1,3-dienyl)-2-(methylthio)phenoxy]-N-methyl-N-prop-2-enyl-1-hexanamine IUPAC Name: 6-[3-(3-bromocyclohexa-1,3-dien-1-yl)-2-methylsulfanylphenoxy]-N-methyl-N-prop-2-enylhexan-1-amine Traditional Name: allyl-[6-[3-(3-bromocyclohexa-1,3-dien-1-yl)-2-(methylthio)phenoxy]hexyl]-methyl-amine Formula: C23H32BrNOS MolecularWeight: 450.47528

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCOC1=CC=CC(=C1SC)C2=CC(=CCC2)Br)CC=C

Isomeric SMILES

CN(CCCCCCOC1=CC=CC(=C1SC)C2=CC(=CCC2)Br)CC=C

InChI

InChI=1S/C23H32BrNOS/c1-4-15-25(2)16-7-5-6-8-17-26-22-14-10-13-21(23(22)27-3)19-11-9-12-20(24)18-19/h4,10,12-14,18H,1,5-9,11,15-17H2,2-3H3