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

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-benzyloxy-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-5-phenylmethoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-benzoxy-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C27H30N2O2S MolecularWeight: 446.6043

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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)OCC4=CC=CC=C4)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C27H30N2O2S/c1-30-26-14-12-21(32-2)17-24(26)27-22(10-6-7-15-28)23-16-20(11-13-25(23)29-27)31-18-19-8-4-3-5-9-19/h3-5,8-9,11-14,16-17,29H,6-7,10,15,18,28H2,1-2H3