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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

CC1=CC=C(S1)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

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