O-[1-(3-methoxy-4-oxidanyl-phenyl)pentan-3-yl] N-phenethylcarbamothioate

Systemtic Name: O-[1-(3-methoxy-4-oxidanyl-phenyl)pentan-3-yl] N-phenethylcarbamothioate Openeye Name: O-[1-ethyl-3-(4-hydroxy-3-methoxy-phenyl)propyl] N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid O-[1-(4-hydroxy-3-methoxyphenyl)pentan-3-yl] ester IUPAC Name: O-[1-(4-hydroxy-3-methoxyphenyl)pentan-3-yl] N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid O-[1-ethyl-3-(4-hydroxy-3-methoxy-phenyl)propyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC(=C(C=C1)O)OC)OC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCC(CCC1=CC(=C(C=C1)O)OC)OC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO3S/c1-3-18(11-9-17-10-12-19(23)20(15-17)24-2)25-21(26)22-14-13-16-7-5-4-6-8-16/h4-8,10,12,15,18,23H,3,9,11,13-14H2,1-2H3,(H,22,26)