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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3-methyl-2-thienyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3-methyl-2-thiophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3-methyl-2-thienyl)-1H-indol-3-yl]butylamine Formula: C27H34N2S MolecularWeight: 418.63726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

CC1=C(SC=C1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C27H34N2S/c1-17-7-9-30-26(17)25-22(4-2-3-8-28)23-13-21(5-6-24(23)29-25)27-14-18-10-19(15-27)12-20(11-18)16-27/h5-7,9,13,18-20,29H,2-4,8,10-12,14-16,28H2,1H3