phenyl N-[(4-hydroxyphenyl)methyl]-N-pentyl-carbamimidothioate

Systemtic Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-pentyl-carbamimidothioate Openeye Name: 1-[(4-hydroxyphenyl)methyl]-1-pentyl-2-phenyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-pentylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-[(4-hydroxyphenyl)methyl]-N-pentylcarbamimidothioate Traditional Name: 1-amyl-1-(4-hydroxybenzyl)-2-phenyl-isothiourea Formula: C19H24N2OS MolecularWeight: 328.47166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS/c1-2-3-7-14-21(15-16-10-12-17(22)13-11-16)19(20)23-18-8-5-4-6-9-18/h4-6,8-13,20,22H,2-3,7,14-15H2,1H3