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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-(4-propan-2-ylphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(4-isopropylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-[(4-propan-2-ylphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxo-3-(4-propan-2-ylphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-[(p-cumenylthio)methyl]ethyl]acetamide Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)N2CCCCCC2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2S/c1-15(2)17-8-10-18(11-9-17)25-14-19(21-16(3)23)20(24)22-12-6-4-5-7-13-22/h8-11,15,19H,4-7,12-14H2,1-3H3,(H,21,23)/t19-/m1/s1