[2-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamothioyloxymethyl]-3-(4-tert-butylphenyl)propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamothioyloxymethyl]-3-(4-tert-butylphenyl)propyl] 2,2-dimethylpropanoate Openeye Name: [2-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylcarbamothioyloxymethyl]-3-(4-tert-butylphenyl)propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[[4-(2-aminoethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethoxy]methyl]-3-(4-tert-butylphenyl)propyl] ester IUPAC Name: [2-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylcarbamothioyloxymethyl]-3-(4-tert-butylphenyl)propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[4-(2-aminoethoxy)-3-methoxy-benzyl]thiocarbamoyloxymethyl]-3-(4-tert-butylphenyl)propyl] ester Formula: C30H44N2O5S MolecularWeight: 544.74576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O5S/c1-29(2,3)24-11-8-21(9-12-24)16-23(19-36-27(33)30(4,5)6)20-37-28(38)32-18-22-10-13-25(35-15-14-31)26(17-22)34-7/h8-13,17,23H,14-16,18-20,31H2,1-7H3,(H,32,38)