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

Systemtic Name: [3-(3,4-dimethylphenyl)-1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [3-(3,4-dimethylphenyl)-1-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(3,4-dimethylphenyl)-1-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(3,4-dimethylphenyl)-1-(vanillylthiocarbamoylamino)propyl] ester Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(NC(=S)NCC2=CC(=C(C=C2)O)OC)OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(NC(=S)NCC2=CC(=C(C=C2)O)OC)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C25H34N2O4S/c1-16-7-8-18(13-17(16)2)10-12-22(31-23(29)25(3,4)5)27-24(32)26-15-19-9-11-20(28)21(14-19)30-6/h7-9,11,13-14,22,28H,10,12,15H2,1-6H3,(H2,26,27,32)