phenyl N-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)carbamimidothioate

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-isobutyl-2-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)carbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-isobutyl-2-phenyl-isothiourea Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/c1-14(2)12-20(13-15-8-10-16(21)11-9-15)18(19)22-17-6-4-3-5-7-17/h3-11,14,19,21H,12-13H2,1-2H3