N-[(4S,6S)-6-(4-tert-butylphenyl)sulfanylhept-1-en-4-yl]-4-methoxy-aniline

Systemtic Name: N-[(4S,6S)-6-(4-tert-butylphenyl)sulfanylhept-1-en-4-yl]-4-methoxy-aniline Openeye Name: N-[(1S)-1-[(2S)-2-(4-tert-butylphenyl)sulfanylpropyl]but-3-enyl]-4-methoxy-aniline CAS Name: N-[(4S,6S)-6-[(4-tert-butylphenyl)thio]hept-1-en-4-yl]-4-methoxyaniline IUPAC Name: N-[(4S,6S)-6-(4-tert-butylphenyl)sulfanylhept-1-en-4-yl]-4-methoxyaniline Traditional Name: [(1S)-1-[(2S)-2-[(4-tert-butylphenyl)thio]propyl]but-3-enyl]-(4-methoxyphenyl)amine Formula: C24H33NOS MolecularWeight: 383.58992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC=C)NC1=CC=C(C=C1)OC)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C[C@H](CC=C)NC1=CC=C(C=C1)OC)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H33NOS/c1-7-8-21(25-20-11-13-22(26-6)14-12-20)17-18(2)27-23-15-9-19(10-16-23)24(3,4)5/h7,9-16,18,21,25H,1,8,17H2,2-6H3/t18-,21-/m0/s1