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

Systemtic Name: (2S)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(3-chloro-4-methylphenyl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(3-chloro-4-methyl-phenyl)thio]-N-methyl-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)N(C)CC2=CC=CC=C2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)N(C)CC2=CC=CC=C2)NC(=O)C)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-14-9-10-17(11-18(14)21)26-13-19(22-15(2)24)20(25)23(3)12-16-7-5-4-6-8-16/h4-11,19H,12-13H2,1-3H3,(H,22,24)/t19-/m1/s1