[2-[[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]-3-phenyl-propyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]-3-phenyl-propyl] 3,3-dimethylbutanoate Openeye Name: [2-benzyl-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-3-phenylpropyl] ester IUPAC Name: [2-benzyl-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-benzyl-3-(vanillylthiocarbamoylamino)propyl] ester Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(C)CC(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C25H34N2O4S/c1-25(2,3)14-23(29)31-17-20(12-18-8-6-5-7-9-18)16-27-24(32)26-15-19-10-11-21(28)22(13-19)30-4/h5-11,13,20,28H,12,14-17H2,1-4H3,(H2,26,27,32)