N,N-diethyl-2-methyl-3-(4-phenylsulfanylphenyl)butan-1-amine

Systemtic Name: N,N-diethyl-2-methyl-3-(4-phenylsulfanylphenyl)butan-1-amine Openeye Name: N,N-diethyl-2-methyl-3-(4-phenylsulfanylphenyl)butan-1-amine CAS Name: N,N-diethyl-2-methyl-3-[4-(phenylthio)phenyl]-1-butanamine IUPAC Name: N,N-diethyl-2-methyl-3-(4-phenylsulfanylphenyl)butan-1-amine Traditional Name: diethyl-[2-methyl-3-[4-(phenylthio)phenyl]butyl]amine Formula: C21H29NS MolecularWeight: 327.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)C(C)C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CC(C)C(C)C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H29NS/c1-5-22(6-2)16-17(3)18(4)19-12-14-21(15-13-19)23-20-10-8-7-9-11-20/h7-15,17-18H,5-6,16H2,1-4H3