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

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-5-phenoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-5-phenoxy-1H-indol-3-yl]butylamine Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C26H28N2O2S/c1-29-25-14-12-20(31-2)17-23(25)26-21(10-6-7-15-27)22-16-19(11-13-24(22)28-26)30-18-8-4-3-5-9-18/h3-5,8-9,11-14,16-17,28H,6-7,10,15,27H2,1-2H3