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

Systemtic Name: [2-[(4-tert-butylphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(4-tert-butylphenyl)methyl]-3-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(4-tert-butylbenzyl)-3-(vanillylthiocarbamoylamino)propyl] ester Formula: C28H40N2O4S MolecularWeight: 500.6932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35)