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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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