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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-[(4-phenoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-[[(4-phenoxyphenyl)thio]methyl]ethyl]acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O3S/c1-18(26)24-22(23(27)25-15-7-2-3-8-16-25)17-29-21-13-11-20(12-14-21)28-19-9-5-4-6-10-19/h4-6,9-14,22H,2-3,7-8,15-17H2,1H3,(H,24,26)/t22-/m1/s1