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methyl N-cyano-N'-[3-(2,6-dimethylphenoxy)propyl]carbamimidothioate

methyl N-cyano-N'-[3-(2,6-dimethylphenoxy)propyl]carbamimidothioate

Systemtic Name:methyl N-cyano-N'-[3-(2,6-dimethylphenoxy)propyl]carbamimidothioate
Openeye Name:1-cyano-3-[3-(2,6-dimethylphenoxy)propyl]-2-methyl-isothiourea
CAS Name:N-cyano-N'-[3-(2,6-dimethylphenoxy)propyl]carbamimidothioic acid methyl ester
IUPAC Name:methyl N-cyano-N'-[3-(2,6-dimethylphenoxy)propyl]carbamimidothioate
Traditional Name:1-cyano-3-[3-(2,6-dimethylphenoxy)propyl]-2-methyl-isothiourea
Formula: C14H19N3OS
MolecularWeight: 277.38516
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCN=C(NC#N)SC


Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCN=C(NC#N)SC


InChI

InChI=1S/C14H19N3OS/c1-11-6-4-7-12(2)13(11)18-9-5-8-16-14(19-3)17-10-15/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)


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