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

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-phenethyl-2,3-diphenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-phenylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-phenylcarbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-phenethyl-2,3-diphenyl-isothiourea Formula: C28H26N2OS MolecularWeight: 438.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)O)C(=NC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H26N2OS/c31-26-18-16-24(17-19-26)22-30(21-20-23-10-4-1-5-11-23)28(29-25-12-6-2-7-13-25)32-27-14-8-3-9-15-27/h1-19,31H,20-22H2