O-[1-[3-chloranyl-4-(phenylmethoxymethoxy)phenyl]-5-phenyl-pentan-3-yl] N-(2-pyridin-2-ylethyl)carbamothioate

Systemtic Name: O-[1-[3-chloranyl-4-(phenylmethoxymethoxy)phenyl]-5-phenyl-pentan-3-yl] N-(2-pyridin-2-ylethyl)carbamothioate Openeye Name: O-[1-[2-[4-(benzyloxymethoxy)-3-chloro-phenyl]ethyl]-3-phenyl-propyl] N-[2-(2-pyridyl)ethyl]carbamothioate CAS Name: N-[2-(2-pyridinyl)ethyl]carbamothioic acid O-[1-[3-chloro-4-(phenylmethoxymethoxy)phenyl]-5-phenylpentan-3-yl] ester IUPAC Name: O-[1-[3-chloro-4-(phenylmethoxymethoxy)phenyl]-5-phenylpentan-3-yl] N-(2-pyridin-2-ylethyl)carbamothioate Traditional Name: N-[2-(2-pyridyl)ethyl]thiocarbamic acid O-[1-[2-[4-(benzoxymethoxy)-3-chloro-phenyl]ethyl]-3-phenyl-propyl] ester Formula: C33H35ClN2O3S MolecularWeight: 575.1606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCC2=CC(=C(C=C2)OCOCC3=CC=CC=C3)Cl)OC(=S)NCCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCC2=CC(=C(C=C2)OCOCC3=CC=CC=C3)Cl)OC(=S)NCCC4=CC=CC=N4

InChI

InChI=1S/C33H35ClN2O3S/c34-31-23-27(16-19-32(31)38-25-37-24-28-11-5-2-6-12-28)15-18-30(17-14-26-9-3-1-4-10-26)39-33(40)36-22-20-29-13-7-8-21-35-29/h1-13,16,19,21,23,30H,14-15,17-18,20,22,24-25H2,(H,36,40)