N-phenyl-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(7-thioxooctanoyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(1-oxo-7-sulfanylideneoctyl)-1-piperazinyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(7-sulfanylideneoctanoyl)piperazin-1-yl]acetamide Traditional Name: N-phenyl-2-[4-(7-thioxooctanoyl)piperazino]acetamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=S)CCCCCC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O2S/c1-17(26)8-4-2-7-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-9-5-3-6-10-18/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H,21,24)