dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-dodecyl-3-[2-(4-methoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioic acid dodecyl ester IUPAC Name: dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-lauryl-3-[2-(4-methoxyphenyl)ethyl]isothiourea Formula: C22H38N2OS MolecularWeight: 378.61492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=NCCC1=CC=C(C=C1)OC)N

Isomeric SMILES

CCCCCCCCCCCCSC(=NCCC1=CC=C(C=C1)OC)N

InChI

InChI=1S/C22H38N2OS/c1-3-4-5-6-7-8-9-10-11-12-19-26-22(23)24-18-17-20-13-15-21(25-2)16-14-20/h13-16H,3-12,17-19H2,1-2H3,(H2,23,24)