4-[5-ethoxy-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-ethoxy-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-ethoxy-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-ethoxy-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-ethoxy-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-ethoxy-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

InChI

InChI=1S/C22H28N2O2S/c1-4-26-15-8-10-20-18(13-15)17(7-5-6-12-23)22(24-20)19-14-16(27-3)9-11-21(19)25-2/h8-11,13-14,24H,4-7,12,23H2,1-3H3