phenacyl N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: phenacyl N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-cyano-2-phenacyl-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid phenacyl ester IUPAC Name: phenacyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-cyano-2-phenacyl-isothiourea Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3OS/c1-2-8-15-13(16-10-14)18-9-12(17)11-6-4-3-5-7-11/h2-7H,1,8-9H2,(H,15,16)