methyl N-cyano-N'-(3,4-dimethoxyphenyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3,4-dimethoxyphenyl)carbamimidothioate Openeye Name: 1-cyano-3-(3,4-dimethoxyphenyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(3,4-dimethoxyphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3,4-dimethoxyphenyl)carbamimidothioate Traditional Name: 1-cyano-3-(3,4-dimethoxyphenyl)-2-methyl-isothiourea Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2S/c1-15-9-5-4-8(6-10(9)16-2)14-11(17-3)13-7-12/h4-6H,1-3H3,(H,13,14)