N-[(2S)-1-[2-(3,4-dimethylphenoxy)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[2-(3,4-dimethylphenoxy)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[2-(3,4-dimethylphenoxy)ethylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[2-(3,4-dimethylphenoxy)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[2-(3,4-dimethylphenoxy)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[2-(3,4-dimethylphenoxy)ethylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H28N2O3S/c1-16-9-10-19(15-17(16)2)27-13-12-23-22(26)20(11-14-28-3)24-21(25)18-7-5-4-6-8-18/h4-10,15,20H,11-14H2,1-3H3,(H,23,26)(H,24,25)/t20-/m0/s1