2-acetamido-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-butanamide

Systemtic Name: 2-acetamido-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-butanamide Openeye Name: 2-acetamido-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-butanamide CAS Name: 2-acetamido-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-methylbutanamide IUPAC Name: 2-acetamido-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methylbutanamide Traditional Name: 2-acetamido-N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-methyl-butyramide Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C(C(C)C)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C(C(C)C)NC(=O)C)C

InChI

InChI=1S/C17H26N2O2S/c1-11(2)16(19-14(5)20)17(21)18-8-9-22-15-7-6-12(3)13(4)10-15/h6-7,10-11,16H,8-9H2,1-5H3,(H,18,21)(H,19,20)