(3S)-2-[(2R)-4-phenylbutan-2-yl]-3-(phenylmethylsulfanyl)-3H-isoindol-1-one

Systemtic Name: (3S)-2-[(2R)-4-phenylbutan-2-yl]-3-(phenylmethylsulfanyl)-3H-isoindol-1-one Openeye Name: (3S)-3-benzylsulfanyl-2-[(1R)-1-methyl-3-phenyl-propyl]isoindolin-1-one CAS Name: (3S)-2-[(2R)-4-phenylbutan-2-yl]-3-(phenylmethylthio)-3H-isoindol-1-one IUPAC Name: (3S)-3-benzylsulfanyl-2-[(2R)-4-phenylbutan-2-yl]-3H-isoindol-1-one Traditional Name: (3S)-3-(benzylthio)-2-[(1R)-1-methyl-3-phenyl-propyl]isoindolin-1-one Formula: C25H25NOS MolecularWeight: 387.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N2[C@H](C3=CC=CC=C3C2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C25H25NOS/c1-19(16-17-20-10-4-2-5-11-20)26-24(27)22-14-8-9-15-23(22)25(26)28-18-21-12-6-3-7-13-21/h2-15,19,25H,16-18H2,1H3/t19-,25+/m1/s1