(2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-dimethylaminoethyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)F)C(=O)N(CCN(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)F)C(=O)N(CCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28FN3O2S/c1-17(27)24-21(16-29-20-11-9-19(23)10-12-20)22(28)26(14-13-25(2)3)15-18-7-5-4-6-8-18/h4-12,21H,13-16H2,1-3H3,(H,24,27)/t21-/m1/s1