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

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

Systemtic Name:1-(azepan-1-yl)-2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
Openeye Name:1-(azepan-1-yl)-2-[3-(p-tolylmethylsulfanyl)indol-1-yl]ethanone
CAS Name:1-(1-azepanyl)-2-[3-[(4-methylphenyl)methylthio]-1-indolyl]ethanone
IUPAC Name:1-(azepan-1-yl)-2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
Traditional Name:1-(azepan-1-yl)-2-[3-[(4-methylbenzyl)thio]indol-1-yl]ethanone
Formula: C24H28N2OS
MolecularWeight: 392.55692
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4


Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4


InChI

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


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