2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-N,4-dimethyl-pentanamide

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-N,4-dimethyl-pentanamide Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-N,4-dimethyl-pentanamide CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-N,4-dimethylpentanamide IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-N,4-dimethylpentanamide Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-N,4-dimethyl-valeramide Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)NC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CC(C(=O)NC)NC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H23ClN2O2S/c1-11(2)10-14(16(21)18-3)19-15(20)8-9-22-13-6-4-12(17)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)(H,19,20)