1-(azepan-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(p-tolylmethyl)indol-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-[(4-methylphenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(4-methylbenzyl)indol-3-yl]thio]ethanone Formula: C24H28N2OS MolecularWeight: 392.55692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

InChI

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