N-[(2S)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzyl-1-piperidyl)-1-[(4-butylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(4-butylphenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperidin-1-yl)-3-(4-butylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperidino)-1-[[(4-butylphenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCC(CC2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N2CCC(CC2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C27H36N2O2S/c1-3-4-8-22-11-13-25(14-12-22)32-20-26(28-21(2)30)27(31)29-17-15-24(16-18-29)19-23-9-6-5-7-10-23/h5-7,9-14,24,26H,3-4,8,15-20H2,1-2H3,(H,28,30)/t26-/m1/s1