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

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-1-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)-N-(phenylmethyl)carbamimidothioic acid phenyl ester IUPAC Name: phenyl N-benzyl-N-[(4-hydroxyphenyl)methyl]-N'-(4-methoxyphenyl)carbamimidothioate Traditional Name: 1-benzyl-1-(4-hydroxybenzyl)-3-(4-methoxyphenyl)-2-phenyl-isothiourea Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N(CC2=CC=CC=C2)CC3=CC=C(C=C3)O)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N(CC2=CC=CC=C2)CC3=CC=C(C=C3)O)SC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2S/c1-32-26-18-14-24(15-19-26)29-28(33-27-10-6-3-7-11-27)30(20-22-8-4-2-5-9-22)21-23-12-16-25(31)17-13-23/h2-19,31H,20-21H2,1H3