O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-methylpentyl)carbamothioate

Systemtic Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-methylpentyl)carbamothioate Openeye Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-isohexylcarbamothioate CAS Name: N-(4-methylpentyl)carbamothioic acid O-[3-[(4-ethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-methylpentyl)carbamothioate Traditional Name: N-isohexylthiocarbamic acid O-[3-(p-phenetylcarbamoyl)phenyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)NCCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)NCCCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-26-19-12-10-18(11-13-19)24-21(25)17-8-5-9-20(15-17)27-22(28)23-14-6-7-16(2)3/h5,8-13,15-16H,4,6-7,14H2,1-3H3,(H,23,28)(H,24,25)