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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-[(4-benzyloxyphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-[[(4-benzoxyphenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O3S/c1-19(27)25-23(24(28)26-15-7-2-3-8-16-26)18-30-22-13-11-21(12-14-22)29-17-20-9-5-4-6-10-20/h4-6,9-14,23H,2-3,7-8,15-18H2,1H3,(H,25,27)/t23-/m1/s1