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

Systemtic Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-pentyl-carbamimidothioate Openeye Name: 2-(benzothiophen-2-yl)-1-[(4-hydroxyphenyl)methyl]-1-pentyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-pentylcarbamimidothioic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[(4-hydroxyphenyl)methyl]-N-pentylcarbamimidothioate Traditional Name: 1-amyl-2-(benzothiophen-2-yl)-1-(4-hydroxybenzyl)isothiourea Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS2/c1-2-3-6-13-23(15-16-9-11-18(24)12-10-16)21(22)26-20-14-17-7-4-5-8-19(17)25-20/h4-5,7-12,14,22,24H,2-3,6,13,15H2,1H3