O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate

Systemtic Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate Openeye Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(1,1,3,3-tetramethylbutyl)carbamothioate CAS Name: N-(2,4,4-trimethylpentan-2-yl)carbamothioic acid O-[4-[(4-iodoanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate Traditional Name: N-(1,1,3,3-tetramethylbutyl)thiocarbamic acid O-[4-[(4-iodophenyl)carbamoyl]phenyl] ester Formula: C22H27IN2O2S MolecularWeight: 510.43145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C22H27IN2O2S/c1-21(2,3)14-22(4,5)25-20(28)27-18-12-6-15(7-13-18)19(26)24-17-10-8-16(23)9-11-17/h6-13H,14H2,1-5H3,(H,24,26)(H,25,28)