methyl N-cyano-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-homoveratryl-2-methyl-isothiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(NC#N)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(NC#N)SC)OC

InChI

InChI=1S/C13H17N3O2S/c1-17-11-5-4-10(8-12(11)18-2)6-7-15-13(19-3)16-9-14/h4-5,8H,6-7H2,1-3H3,(H,15,16)