S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methyl-carbamoyl]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methyl-carbamoyl]phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[4-[4,4-bis(4-benzyloxyphenyl)pentyl-methyl-carbamoyl]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-[[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylamino]-oxomethyl]phenyl] ester IUPAC Name: S-[4-[4,4-bis(4-phenylmethoxyphenyl)pentyl-methylcarbamoyl]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-[4,4-bis(4-benzoxyphenyl)pentyl-methyl-carbamoyl]phenyl] ester Formula: C42H44N2O4S MolecularWeight: 672.87476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(C)C(=O)C1=CC=C(C=C1)SC(=O)N(C)C)(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(CCCN(C)C(=O)C1=CC=C(C=C1)SC(=O)N(C)C)(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C42H44N2O4S/c1-42(35-18-22-37(23-19-35)47-30-32-12-7-5-8-13-32,36-20-24-38(25-21-36)48-31-33-14-9-6-10-15-33)28-11-29-44(4)40(45)34-16-26-39(27-17-34)49-41(46)43(2)3/h5-10,12-27H,11,28-31H2,1-4H3