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

Systemtic Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-butylphenyl)sulfanylmethyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(4-butylphenyl)thio]-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-butylphenyl)thio]methyl]-2-keto-2-(4-methylpiperidino)ethyl]acetamide Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O2S/c1-4-5-6-18-7-9-19(10-8-18)26-15-20(22-17(3)24)21(25)23-13-11-16(2)12-14-23/h7-10,16,20H,4-6,11-15H2,1-3H3,(H,22,24)/t20-/m1/s1