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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(4-butylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-[(4-butylphenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-(4-butylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-[[(4-butylphenyl)thio]methyl]-2-keto-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)N2CCCCCC2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N2CCCCCC2)NC(=O)C

InChI

InChI=1S/C21H32N2O2S/c1-3-4-9-18-10-12-19(13-11-18)26-16-20(22-17(2)24)21(25)23-14-7-5-6-8-15-23/h10-13,20H,3-9,14-16H2,1-2H3,(H,22,24)/t20-/m1/s1