O-(1-hydroxyethyl) 4-methyl-5-phenyl-3-[(phenylmethyl)amino]pentanethioate

Systemtic Name: O-(1-hydroxyethyl) 4-methyl-5-phenyl-3-[(phenylmethyl)amino]pentanethioate Openeye Name: O-(1-hydroxyethyl) 3-(benzylamino)-4-methyl-5-phenyl-pentanethioate CAS Name: 4-methyl-5-phenyl-3-[(phenylmethyl)amino]pentanethioic acid O-(1-hydroxyethyl) ester IUPAC Name: O-(1-hydroxyethyl) 3-(benzylamino)-4-methyl-5-phenylpentanethioate Traditional Name: 3-(benzylamino)-4-methyl-5-phenyl-pentanethioic acid O-(1-hydroxyethyl) ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CC(=S)OC(C)O)NCC2=CC=CC=C2

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CC(=S)OC(C)O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO2S/c1-16(13-18-9-5-3-6-10-18)20(14-21(25)24-17(2)23)22-15-19-11-7-4-8-12-19/h3-12,16-17,20,22-23H,13-15H2,1-2H3