N-[3-[1-[3-[(2-ethylsulfanyl-2-phenyl-ethanoyl)amino]propyl]piperidin-4-yl]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[1-[3-[(2-ethylsulfanyl-2-phenyl-ethanoyl)amino]propyl]piperidin-4-yl]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[1-[3-[(2-ethylsulfanyl-2-phenyl-acetyl)amino]propyl]-4-piperidyl]phenyl]-2-methyl-propanamide CAS Name: N-[3-[1-[3-[[2-(ethylthio)-1-oxo-2-phenylethyl]amino]propyl]-4-piperidinyl]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[1-[3-[(2-ethylsulfanyl-2-phenylacetyl)amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide Traditional Name: N-[3-[1-[3-[[2-(ethylthio)-2-phenyl-acetyl]amino]propyl]-4-piperidyl]phenyl]-2-methyl-propionamide Formula: C28H39N3O2S MolecularWeight: 481.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(=O)NCCCN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CCSC(C1=CC=CC=C1)C(=O)NCCCN2CCC(CC2)C3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C28H39N3O2S/c1-4-34-26(23-10-6-5-7-11-23)28(33)29-16-9-17-31-18-14-22(15-19-31)24-12-8-13-25(20-24)30-27(32)21(2)3/h5-8,10-13,20-22,26H,4,9,14-19H2,1-3H3,(H,29,33)(H,30,32)