methyl N'-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-octyl-carbamimidothioate

Systemtic Name: methyl N'-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-octyl-carbamimidothioate Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-methyl-1-octyl-isothiourea CAS Name: N'-[(4-hydroxy-3-methoxyphenyl)methyl]-N-octylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(4-hydroxy-3-methoxyphenyl)methyl]-N-octylcarbamimidothioate Traditional Name: 2-methyl-1-octyl-3-vanillyl-isothiourea Formula: C18H30N2O2S MolecularWeight: 338.508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=NCC1=CC(=C(C=C1)O)OC)SC

Isomeric SMILES

CCCCCCCCNC(=NCC1=CC(=C(C=C1)O)OC)SC

InChI

InChI=1S/C18H30N2O2S/c1-4-5-6-7-8-9-12-19-18(23-3)20-14-15-10-11-16(21)17(13-15)22-2/h10-11,13,21H,4-9,12,14H2,1-3H3,(H,19,20)