(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-phenethyl-propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-phenethyl-propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-phenethylpropanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-phenethyl-propionamide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)NCCC2=CC=CC=C2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)NCCC2=CC=CC=C2)NC(=O)C)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-14-8-9-17(12-18(14)21)26-13-19(23-15(2)24)20(25)22-11-10-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1