2-[2-(3,4-dimethylphenyl)sulfanylethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3,4-dimethylphenyl)sulfanylethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thio]acetyl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25FN2O2S/c1-4-24(13-20(25)23-12-17-6-8-18(22)9-7-17)21(26)14-27-19-10-5-15(2)16(3)11-19/h5-11H,4,12-14H2,1-3H3,(H,23,25)