(4-methoxyphenyl) N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate

Systemtic Name: (4-methoxyphenyl) N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Openeye Name: 1-(2,2-dimethylpropyl)-1-[(4-hydroxyphenyl)methyl]-2-(4-methoxyphenyl)isothiourea CAS Name: N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) N-(2,2-dimethylpropyl)-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-2-(4-methoxyphenyl)-1-neopentyl-isothiourea Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)O)C(=N)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)O)C(=N)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N2O2S/c1-20(2,3)14-22(13-15-5-7-16(23)8-6-15)19(21)25-18-11-9-17(24-4)10-12-18/h5-12,21,23H,13-14H2,1-4H3