methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(4-ethoxyphenyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(4-ethoxyphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-p-phenetyl-isothiourea Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(NC#N)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(NC#N)SC

InChI

InChI=1S/C11H13N3OS/c1-3-15-10-6-4-9(5-7-10)14-11(16-2)13-8-12/h4-7H,3H2,1-2H3,(H,13,14)