N',N'-dimethyl-N-[1-[2-[2-(3-propylphenyl)ethylsulfanyl]phenyl]butyl]propane-1,3-diamine

Systemtic Name: N',N'-dimethyl-N-[1-[2-[2-(3-propylphenyl)ethylsulfanyl]phenyl]butyl]propane-1,3-diamine Openeye Name: N',N'-dimethyl-N-[1-[2-[2-(3-propylphenyl)ethylsulfanyl]phenyl]butyl]propane-1,3-diamine CAS Name: N',N'-dimethyl-N-[1-[2-[2-(3-propylphenyl)ethylthio]phenyl]butyl]propane-1,3-diamine IUPAC Name: N',N'-dimethyl-N-[1-[2-[2-(3-propylphenyl)ethylsulfanyl]phenyl]butyl]propane-1,3-diamine Traditional Name: dimethyl-[3-[1-[2-[2-(3-propylphenyl)ethylthio]phenyl]butylamino]propyl]amine Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)CCSC2=CC=CC=C2C(CCC)NCCCN(C)C

Isomeric SMILES

CCCC1=CC(=CC=C1)CCSC2=CC=CC=C2C(CCC)NCCCN(C)C

InChI

InChI=1S/C26H40N2S/c1-5-11-22-13-9-14-23(21-22)17-20-29-26-16-8-7-15-24(26)25(12-6-2)27-18-10-19-28(3)4/h7-9,13-16,21,25,27H,5-6,10-12,17-20H2,1-4H3