4-[2-(2-methylsulfanylphenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methylsulfanylphenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-benzyloxy-2-(2-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-(methylthio)phenyl]-5-phenylmethoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methylsulfanylphenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-benzoxy-2-[2-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C26H28N2OS/c1-30-25-13-6-5-12-22(25)26-21(11-7-8-16-27)23-17-20(14-15-24(23)28-26)29-18-19-9-3-2-4-10-19/h2-6,9-10,12-15,17,28H,7-8,11,16,18,27H2,1H3