O-[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-bis(2-methylpropyl)carbamothioate

Systemtic Name: O-[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-bis(2-methylpropyl)carbamothioate Openeye Name: O-[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-diisobutylcarbamothioate CAS Name: N,N-bis(2-methylpropyl)carbamothioic acid O-[3-[(4-chloroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-bis(2-methylpropyl)carbamothioate Traditional Name: N,N-diisobutylthiocarbamic acid O-[3-[(4-chlorophenyl)carbamoyl]phenyl] ester Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2S/c1-15(2)13-25(14-16(3)4)22(28)27-20-7-5-6-17(12-20)21(26)24-19-10-8-18(23)9-11-19/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)