4-[7-butyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[7-butyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[7-butyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[7-butyl-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[7-butyl-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[7-butyl-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

Isomeric SMILES

CCCCC1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

InChI

InChI=1S/C24H32N2OS/c1-4-5-9-17-10-8-12-19-20(11-6-7-15-25)24(26-23(17)19)21-16-18(28-3)13-14-22(21)27-2/h8,10,12-14,16,26H,4-7,9,11,15,25H2,1-3H3