(2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-[(1R)-1-phenylethyl]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)NC(C)C2=CC=CC=C2)NC(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2S/c1-13-9-10-17(11-18(13)21)26-12-19(23-15(3)24)20(25)22-14(2)16-7-5-4-6-8-16/h4-11,14,19H,12H2,1-3H3,(H,22,25)(H,23,24)/t14-,19-/m1/s1