2-phenylsulfanyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(phenylthio)-N-[4-[4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(phenylthio)-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazino]phenyl]acetamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3)CC(C)(C)C

InChI

InChI=1S/C27H37N3O2S/c1-21(19-27(2,3)4)18-26(32)30-16-14-29(15-17-30)23-12-10-22(11-13-23)28-25(31)20-33-24-8-6-5-7-9-24/h5-13,21H,14-20H2,1-4H3,(H,28,31)