O-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] ethanethioate

Systemtic Name: O-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] ethanethioate Openeye Name: O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] ethanethioate CAS Name: ethanethioic acid O-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] ethanethioate Traditional Name: ethanethioic acid O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2OC(=S)C

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2OC(=S)C

InChI

InChI=1S/C21H31NO2S/c1-4-17(5-2)15-21(13-9-6-10-14-21)20(23)22-18-11-7-8-12-19(18)24-16(3)25/h7-8,11-12,17H,4-6,9-10,13-15H2,1-3H3,(H,22,23)