N-[(4-butoxyphenyl)methyl]-4-methylsulfanyl-aniline

Systemtic Name: N-[(4-butoxyphenyl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(4-butoxyphenyl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(4-butoxyphenyl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(4-butoxyphenyl)methyl]-4-methylsulfanylaniline Traditional Name: (4-butoxybenzyl)-[4-(methylthio)phenyl]amine Formula: C18H23NOS MolecularWeight: 301.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H23NOS/c1-3-4-13-20-17-9-5-15(6-10-17)14-19-16-7-11-18(21-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3