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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

Isomeric SMILES

CCC(C)C1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

InChI

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