O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-octylcarbamothioate

Systemtic Name: O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-octylcarbamothioate Openeye Name: O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic acid O-[4-[(4-chloroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid O-[4-[(4-chlorophenyl)carbamoyl]phenyl] ester Formula: C22H27ClN2O2S MolecularWeight: 418.97998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCNC(=S)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-2-3-4-5-6-7-16-24-22(28)27-20-14-8-17(9-15-20)21(26)25-19-12-10-18(23)11-13-19/h8-15H,2-7,16H2,1H3,(H,24,28)(H,25,26)