N-methyl-N-[4-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]but-3-ynyl]cyclopropanamine

Systemtic Name: N-methyl-N-[4-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]but-3-ynyl]cyclopropanamine Openeye Name: N-methyl-N-[4-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]but-3-ynyl]cyclopropanamine CAS Name: N-methyl-N-[4-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]but-3-ynyl]cyclopropanamine IUPAC Name: N-methyl-N-[4-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]but-3-ynyl]cyclopropanamine Traditional Name: cyclopropyl-methyl-[4-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]but-3-ynyl]amine Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C#CCCN(C)C2CC2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CNCC1=C(C=CC(=C1)C#CCCN(C)C2CC2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3