methyl N-[(4-hydroxyphenyl)methyl]-N-(4-methoxyphenyl)-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[(4-hydroxyphenyl)methyl]-N-(4-methoxyphenyl)-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-2-methyl-3-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(4-methoxyphenyl)-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-hydroxyphenyl)methyl]-N-(4-methoxyphenyl)-N'-phenylcarbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-(4-methoxyphenyl)-2-methyl-3-phenyl-isothiourea Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC

InChI

InChI=1S/C22H22N2O2S/c1-26-21-14-10-19(11-15-21)24(16-17-8-12-20(25)13-9-17)22(27-2)23-18-6-4-3-5-7-18/h3-15,25H,16H2,1-2H3