N-(2,6-dimethylphenyl)-4-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(2S)-1-oxo-1-(phenethylamino)propan-2-yl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl]thio]butyramide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCS[C@@H](C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O2S/c1-17-9-7-10-18(2)22(17)25-21(26)13-8-16-28-19(3)23(27)24-15-14-20-11-5-4-6-12-20/h4-7,9-12,19H,8,13-16H2,1-3H3,(H,24,27)(H,25,26)/t19-/m0/s1