S-(3-bromanyl-2-methyl-2-oxidanyl-1-phenyl-propyl) N-phenethylcarbamothioate

Systemtic Name: S-(3-bromanyl-2-methyl-2-oxidanyl-1-phenyl-propyl) N-phenethylcarbamothioate Openeye Name: S-(3-bromo-2-hydroxy-2-methyl-1-phenyl-propyl) N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid S-(3-bromo-2-hydroxy-2-methyl-1-phenylpropyl) ester IUPAC Name: S-(3-bromo-2-hydroxy-2-methyl-1-phenylpropyl) N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid S-(3-bromo-2-hydroxy-2-methyl-1-phenyl-propyl) ester Formula: C19H22BrNO2S MolecularWeight: 408.35248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)(C(C1=CC=CC=C1)SC(=O)NCCC2=CC=CC=C2)O

Isomeric SMILES

CC(CBr)(C(C1=CC=CC=C1)SC(=O)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C19H22BrNO2S/c1-19(23,14-20)17(16-10-6-3-7-11-16)24-18(22)21-13-12-15-8-4-2-5-9-15/h2-11,17,23H,12-14H2,1H3,(H,21,22)