phenacyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: phenacyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-3-methyl-2-phenacyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid phenacyl ester IUPAC Name: phenacyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-3-methyl-2-phenacyl-isothiourea Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC(=O)C1=CC=CC=C1

Isomeric SMILES

CN=C(NC#N)SCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H11N3OS/c1-13-11(14-8-12)16-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)