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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C30H38N2OS MolecularWeight: 474.70052

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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)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C30H38N2OS/c1-33-28-9-7-23(34-2)15-26(28)29-24(5-3-4-10-31)25-14-22(6-8-27(25)32-29)30-16-19-11-20(17-30)13-21(12-19)18-30/h6-9,14-15,19-21,32H,3-5,10-13,16-18,31H2,1-2H3