(3R)-3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC1=CC2=C(C=C1)N=C(S2)SC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S2/c1-12(23)20-16(13-6-4-3-5-7-13)11-18(24)21-14-8-9-15-17(10-14)26-19(22-15)25-2/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,24)/t16-/m1/s1