N-(2-methylsulfanylethyl)-2-[3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]ethanamide Openeye Name: N-(2-methylsulfanylethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide CAS Name: N-[2-(methylthio)ethyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide Traditional Name: 2-[3-keto-1-(3-phenoxybenzyl)piperazin-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCCN1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CSCCNC(=O)CC1C(=O)NCCN1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-29-13-11-23-21(26)15-20-22(27)24-10-12-25(20)16-17-6-5-9-19(14-17)28-18-7-3-2-4-8-18/h2-9,14,20H,10-13,15-16H2,1H3,(H,23,26)(H,24,27)