(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(p-tolylthio)propionamide Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCCN(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCCN(C)C)NC(=O)C

InChI

InChI=1S/C16H25N3O2S/c1-12-5-7-14(8-6-12)22-11-15(18-13(2)20)16(21)17-9-10-19(3)4/h5-8,15H,9-11H2,1-4H3,(H,17,21)(H,18,20)/t15-/m1/s1