S-(3-chloranyl-2-oxidanyl-1-phenyl-butyl) N-phenethylcarbamothioate

Systemtic Name: S-(3-chloranyl-2-oxidanyl-1-phenyl-butyl) N-phenethylcarbamothioate Openeye Name: S-(3-chloro-2-hydroxy-1-phenyl-butyl) N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid S-(3-chloro-2-hydroxy-1-phenylbutyl) ester IUPAC Name: S-(3-chloro-2-hydroxy-1-phenylbutyl) N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid S-(3-chloro-2-hydroxy-1-phenyl-butyl) ester Formula: C19H22ClNO2S MolecularWeight: 363.90148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO2S/c1-14(20)17(22)18(16-10-6-3-7-11-16)24-19(23)21-13-12-15-8-4-2-5-9-15/h2-11,14,17-18,22H,12-13H2,1H3,(H,21,23)