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

Systemtic Name: 2-[(4-tert-butylphenyl)-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]butyl 2,2-dimethylpropanoate Openeye Name: 2-[(4-tert-butylphenyl)-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]methyl]butyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(4-tert-butylphenyl)-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]butyl ester IUPAC Name: 2-[(4-tert-butylphenyl)-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]methyl]butyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(4-tert-butylphenyl)-(vanillylthiocarbamoylamino)methyl]butyl ester Formula: C29H42N2O4S MolecularWeight: 514.71978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O4S/c1-9-20(18-35-26(33)29(5,6)7)25(21-11-13-22(14-12-21)28(2,3)4)31-27(36)30-17-19-10-15-23(32)24(16-19)34-8/h10-16,20,25,32H,9,17-18H2,1-8H3,(H2,30,31,36)