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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

InChI

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