(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide

Systemtic Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide Openeye Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R)-1-methyl-3-phenyl-propyl]propanamide CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-[(2R)-4-phenylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide Traditional Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-[(1R)-1-methyl-3-phenyl-propyl]propionamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H22N2O2S/c1-14(12-13-16-8-4-3-5-9-16)21-19(23)15(2)25-20-22-17-10-6-7-11-18(17)24-20/h3-11,14-15H,12-13H2,1-2H3,(H,21,23)/t14-,15+/m1/s1