N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-[(4-phenoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[[(4-phenoxyphenyl)thio]methyl]ethyl]acetamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O3S/c1-19(29)27-25(26(30)28-16-15-20-7-5-6-8-21(20)17-28)18-32-24-13-11-23(12-14-24)31-22-9-3-2-4-10-22/h2-14,25H,15-18H2,1H3,(H,27,29)/t25-/m1/s1