N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine

Systemtic Name: N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine Openeye Name: N-ethyl-3-(4-isopentylsulfanylphenyl)-2-methyl-butan-1-amine CAS Name: N-ethyl-2-methyl-3-[4-(3-methylbutylthio)phenyl]-1-butanamine IUPAC Name: N-ethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]butan-1-amine Traditional Name: ethyl-[3-[4-(isoamylthio)phenyl]-2-methyl-butyl]amine Formula: C18H31NS MolecularWeight: 293.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C)C(C)C1=CC=C(C=C1)SCCC(C)C

Isomeric SMILES

CCNCC(C)C(C)C1=CC=C(C=C1)SCCC(C)C

InChI

InChI=1S/C18H31NS/c1-6-19-13-15(4)16(5)17-7-9-18(10-8-17)20-12-11-14(2)3/h7-10,14-16,19H,6,11-13H2,1-5H3