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

Systemtic Name: N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1R)-2-(4-methylpiperazin-1-yl)-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[(2R)-1-(4-methyl-1-piperazinyl)-1-oxo-3-[(4-phenoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1R)-2-keto-2-(4-methylpiperazino)-1-[[(4-phenoxyphenyl)thio]methyl]ethyl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H27N3O3S/c1-17(26)23-21(22(27)25-14-12-24(2)13-15-25)16-29-20-10-8-19(9-11-20)28-18-6-4-3-5-7-18/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m0/s1