2,6-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]heptan-4-amine

Systemtic Name: 2,6-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]heptan-4-amine Openeye Name: 2,6-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]heptan-4-amine CAS Name: 2,6-dimethyl-N-[1-[4-(methylthio)phenyl]ethyl]-4-heptanamine IUPAC Name: 2,6-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]heptan-4-amine Traditional Name: (1-isobutyl-3-methyl-butyl)-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C18H31NS MolecularWeight: 293.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)NC(C)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)CC(CC(C)C)NC(C)C1=CC=C(C=C1)SC

InChI

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