(2-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate

Systemtic Name: (2-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-2-(o-tolyl)-1-(3-phenylpropyl)isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) N-[(4-hydroxyphenyl)methyl]-N-(3-phenylpropyl)carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-2-(o-tolyl)-1-(3-phenylpropyl)isothiourea Formula: C24H26N2OS MolecularWeight: 390.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(=N)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=CC=C1SC(=N)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C24H26N2OS/c1-19-8-5-6-12-23(19)28-24(25)26(18-21-13-15-22(27)16-14-21)17-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-16,25,27H,7,11,17-18H2,1H3