phenyl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-2-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate Traditional Name: 1-(4-hydroxybenzyl)-1-(3-methoxypropyl)-2-phenyl-isothiourea Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S/c1-22-13-5-12-20(14-15-8-10-16(21)11-9-15)18(19)23-17-6-3-2-4-7-17/h2-4,6-11,19,21H,5,12-14H2,1H3