N-(2,6-dimethylphenyl)-4-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]thio]butyramide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SCCCC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SCCCC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H28N2O2S/c1-15-8-5-11-19(14-15)23-22(26)18(4)27-13-7-12-20(25)24-21-16(2)9-6-10-17(21)3/h5-6,8-11,14,18H,7,12-13H2,1-4H3,(H,23,26)(H,24,25)/t18-/m0/s1