2-(4-bromophenyl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine CAS Name: 2-[(4-bromophenyl)thio]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine Traditional Name: 2-[(4-bromophenyl)thio]ethyl-(2,3,4-trimethoxybenzyl)amine Formula: C18H22BrNO3S MolecularWeight: 412.34118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNCCSC2=CC=C(C=C2)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNCCSC2=CC=C(C=C2)Br)OC)OC

InChI

InChI=1S/C18H22BrNO3S/c1-21-16-9-4-13(17(22-2)18(16)23-3)12-20-10-11-24-15-7-5-14(19)6-8-15/h4-9,20H,10-12H2,1-3H3