[3-(4-tert-butylphenyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [3-(4-tert-butylphenyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [3-(4-tert-butylphenyl)-1-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(4-tert-butylphenyl)-1-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [3-(4-tert-butylphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(4-tert-butylphenyl)-1-(vanillylthiocarbamoylamino)propyl] ester Formula: C27H38N2O4S MolecularWeight: 486.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(NC(=S)NCC2=CC(=C(C=C2)O)OC)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(NC(=S)NCC2=CC(=C(C=C2)O)OC)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H38N2O4S/c1-26(2,3)20-12-8-18(9-13-20)11-15-23(33-24(31)27(4,5)6)29-25(34)28-17-19-10-14-21(30)22(16-19)32-7/h8-10,12-14,16,23,30H,11,15,17H2,1-7H3,(H2,28,29,34)