ethyl N-[(1R,3R)-4,4-dimethyl-3-oxidanyl-1-phenyl-pentyl]benzenecarboximidothioate

Systemtic Name: ethyl N-[(1R,3R)-4,4-dimethyl-3-oxidanyl-1-phenyl-pentyl]benzenecarboximidothioate Openeye Name: ethyl N-[(1R,3R)-3-hydroxy-4,4-dimethyl-1-phenyl-pentyl]benzenecarboximidothioate CAS Name: N-[(1R,3R)-3-hydroxy-4,4-dimethyl-1-phenylpentyl]benzenecarboximidothioic acid ethyl ester IUPAC Name: ethyl N-[(1R,3R)-3-hydroxy-4,4-dimethyl-1-phenylpentyl]benzenecarboximidothioate Traditional Name: N-[(1R,3R)-3-hydroxy-4,4-dimethyl-1-phenyl-pentyl]benzenecarboximidothioic acid ethyl ester Formula: C22H29NOS MolecularWeight: 355.53676

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(CC(C(C)(C)C)O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCSC(=N[C@H](C[C@H](C(C)(C)C)O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H29NOS/c1-5-25-21(18-14-10-7-11-15-18)23-19(16-20(24)22(2,3)4)17-12-8-6-9-13-17/h6-15,19-20,24H,5,16H2,1-4H3/t19-,20-/m1/s1