1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate

Systemtic Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate Openeye Name: 2-(benzothiophen-2-yl)-1-[(4-hydroxyphenyl)methyl]-1-(3-methoxypropyl)isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-(3-methoxypropyl)carbamimidothioate Traditional Name: 2-(benzothiophen-2-yl)-1-(4-hydroxybenzyl)-1-(3-methoxypropyl)isothiourea Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)O)C(=N)SC2=CC3=CC=CC=C3S2

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)O)C(=N)SC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O2S2/c1-24-12-4-11-22(14-15-7-9-17(23)10-8-15)20(21)26-19-13-16-5-2-3-6-18(16)25-19/h2-3,5-10,13,21,23H,4,11-12,14H2,1H3