1-(azepan-1-yl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(2-naphthylsulfanyl)acetyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(2-naphthalenylthio)-1-oxoethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(2-naphthylthio)acetyl]piperazino]ethanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H31N3O2S/c28-23(26-11-5-1-2-6-12-26)18-25-13-15-27(16-14-25)24(29)19-30-22-10-9-20-7-3-4-8-21(20)17-22/h3-4,7-10,17H,1-2,5-6,11-16,18-19H2