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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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