3,4,5-trimethoxy-N-(3-phenylsulfanylpropyl)aniline

Systemtic Name: 3,4,5-trimethoxy-N-(3-phenylsulfanylpropyl)aniline Openeye Name: 3,4,5-trimethoxy-N-(3-phenylsulfanylpropyl)aniline CAS Name: 3,4,5-trimethoxy-N-[3-(phenylthio)propyl]aniline IUPAC Name: 3,4,5-trimethoxy-N-(3-phenylsulfanylpropyl)aniline Traditional Name: 3-(phenylthio)propyl-(3,4,5-trimethoxyphenyl)amine Formula: C18H23NO3S MolecularWeight: 333.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3S/c1-20-16-12-14(13-17(21-2)18(16)22-3)19-10-7-11-23-15-8-5-4-6-9-15/h4-6,8-9,12-13,19H,7,10-11H2,1-3H3