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

Systemtic Name: [2-[[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [2-benzyl-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-3-phenylpropyl] ester IUPAC Name: [2-benzyl-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-benzyl-3-(vanillylthiocarbamoylamino)propyl] ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-24(2,3)22(28)30-16-19(12-17-8-6-5-7-9-17)15-26-23(31)25-14-18-10-11-20(27)21(13-18)29-4/h5-11,13,19,27H,12,14-16H2,1-4H3,(H2,25,26,31)