(3R)-3-acetamido-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-3-phenyl-propionamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-14(25)22-18(15-6-4-3-5-7-15)12-20(26)24-21-23-19(13-28-21)16-8-10-17(27-2)11-9-16/h3-11,13,18H,12H2,1-2H3,(H,22,25)(H,23,24,26)/t18-/m1/s1