2-[(4-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylpropoxy)ethyl]-N-(2-pyrrolidin-1-ylethyl)aniline

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylpropoxy)ethyl]-N-(2-pyrrolidin-1-ylethyl)aniline Openeye Name: N-(2-isobutoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)aniline CAS Name: 2-[(4-methoxyphenyl)methylthio]-N-[2-(2-methylpropoxy)ethyl]-N-[2-(1-pyrrolidinyl)ethyl]aniline IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylpropoxy)ethyl]-N-(2-pyrrolidin-1-ylethyl)aniline Traditional Name: 2-isobutoxyethyl-[2-[(4-methoxybenzyl)thio]phenyl]-(2-pyrrolidinoethyl)amine Formula: C26H38N2O2S MolecularWeight: 444.649662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCN(CCN1CCCC1)C2=CC=CC=C2SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)COCCN(CCN1CCCC1)C2=CC=CC=C2S[14CH2]C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H38N2O2S/c1-22(2)20-30-19-18-28(17-16-27-14-6-7-15-27)25-8-4-5-9-26(25)31-21-23-10-12-24(29-3)13-11-23/h4-5,8-13,22H,6-7,14-21H2,1-3H3/i21+2