1-(azepan-1-yl)-2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(o-tolylmethylsulfanyl)indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(2-methylphenyl)methylthio]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(2-methylbenzyl)thio]indol-1-yl]ethanone Formula: C24H28N2OS MolecularWeight: 392.55692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N2OS/c1-19-10-4-5-11-20(19)18-28-23-16-26(22-13-7-6-12-21(22)23)17-24(27)25-14-8-2-3-9-15-25/h4-7,10-13,16H,2-3,8-9,14-15,17-18H2,1H3