methyl N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-1-butyl-1-[(4-hydroxyphenyl)methyl]-2-methyl-isothiourea CAS Name: N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-butyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: 3-benzyl-1-butyl-1-(4-hydroxybenzyl)-2-methyl-isothiourea Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)O)C(=NCC2=CC=CC=C2)SC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)O)C(=NCC2=CC=CC=C2)SC

InChI

InChI=1S/C20H26N2OS/c1-3-4-14-22(16-18-10-12-19(23)13-11-18)20(24-2)21-15-17-8-6-5-7-9-17/h5-13,23H,3-4,14-16H2,1-2H3