(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-chlorophenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(4-chlorophenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-chlorophenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-chlorophenyl)thio]-N-phenethyl-propionamide Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27ClN2O2S/c1-20(30)28-25(19-32-24-14-12-23(27)13-15-24)26(31)29(18-22-10-6-3-7-11-22)17-16-21-8-4-2-5-9-21/h2-15,25H,16-19H2,1H3,(H,28,30)/t25-/m1/s1