N-(2,6-dimethylphenyl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-naphthalen-2-ylsulfanylethanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-naphthylsulfanyl)acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-naphthalenylthio)-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-naphthylthio)acetyl]piperazino]acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O2S/c1-19-6-5-7-20(2)26(19)27-24(30)17-28-12-14-29(15-13-28)25(31)18-32-23-11-10-21-8-3-4-9-22(21)16-23/h3-11,16H,12-15,17-18H2,1-2H3,(H,27,30)