O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(phenylmethyl)-N-propyl-carbamothioate

Systemtic Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-(phenylmethyl)-N-propyl-carbamothioate Openeye Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-benzyl-N-propyl-carbamothioate CAS Name: N-(phenylmethyl)-N-propylcarbamothioic acid O-[4-[(4-iodoanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(4-iodophenyl)carbamoyl]phenyl] N-benzyl-N-propylcarbamothioate Traditional Name: N-benzyl-N-propyl-thiocarbamic acid O-[4-[(4-iodophenyl)carbamoyl]phenyl] ester Formula: C24H23IN2O2S MolecularWeight: 530.42109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C24H23IN2O2S/c1-2-16-27(17-18-6-4-3-5-7-18)24(30)29-22-14-8-19(9-15-22)23(28)26-21-12-10-20(25)11-13-21/h3-15H,2,16-17H2,1H3,(H,26,28)