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

Systemtic Name: methyl N-cyano-N'-[2-(3,4-diethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 1-cyano-3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[2-(3,4-diethoxyphenyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-(3,4-diethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 1-cyano-3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-isothiourea Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN=C(NC#N)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN=C(NC#N)SC)OCC

InChI

InChI=1S/C15H21N3O2S/c1-4-19-13-7-6-12(10-14(13)20-5-2)8-9-17-15(21-3)18-11-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)