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

Systemtic Name: N-[(2S)-3-(4-methoxyphenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-methoxyphenyl)sulfanylmethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[(2S)-3-[(4-methoxyphenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-methoxyphenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-1-[[(4-methoxyphenyl)thio]methyl]-2-(4-phenylpiperazino)ethyl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-17(26)23-21(16-29-20-10-8-19(28-2)9-11-20)22(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m1/s1