O-[5-(3-methoxy-4-oxidanyl-phenyl)pentan-2-yl] N-phenethylcarbamothioate

Systemtic Name: O-[5-(3-methoxy-4-oxidanyl-phenyl)pentan-2-yl] N-phenethylcarbamothioate Openeye Name: O-[4-(4-hydroxy-3-methoxy-phenyl)-1-methyl-butyl] N-phenethylcarbamothioate CAS Name: N-phenethylcarbamothioic acid O-[5-(4-hydroxy-3-methoxyphenyl)pentan-2-yl] ester IUPAC Name: O-[5-(4-hydroxy-3-methoxyphenyl)pentan-2-yl] N-phenethylcarbamothioate Traditional Name: N-phenethylthiocarbamic acid O-[4-(4-hydroxy-3-methoxy-phenyl)-1-methyl-butyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC(=C(C=C1)O)OC)OC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC(CCCC1=CC(=C(C=C1)O)OC)OC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO3S/c1-16(7-6-10-18-11-12-19(23)20(15-18)24-2)25-21(26)22-14-13-17-8-4-3-5-9-17/h3-5,8-9,11-12,15-16,23H,6-7,10,13-14H2,1-2H3,(H,22,26)