4-(5-butyl-2-dibenzothiophen-2-yl-1H-indol-3-yl)butan-1-amine

Systemtic Name: 4-(5-butyl-2-dibenzothiophen-2-yl-1H-indol-3-yl)butan-1-amine Openeye Name: 4-(5-butyl-2-dibenzothiophen-2-yl-1H-indol-3-yl)butan-1-amine CAS Name: 4-[5-butyl-2-(2-dibenzothiophenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-(5-butyl-2-dibenzothiophen-2-yl-1H-indol-3-yl)butan-1-amine Traditional Name: 4-(5-butyl-2-dibenzothiophen-2-yl-1H-indol-3-yl)butylamine Formula: C28H30N2S MolecularWeight: 426.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CCCCN)C3=CC4=C(C=C3)SC5=CC=CC=C54

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CCCCN)C3=CC4=C(C=C3)SC5=CC=CC=C54

InChI

InChI=1S/C28H30N2S/c1-2-3-8-19-12-14-25-23(17-19)22(10-6-7-16-29)28(30-25)20-13-15-27-24(18-20)21-9-4-5-11-26(21)31-27/h4-5,9,11-15,17-18,30H,2-3,6-8,10,16,29H2,1H3