[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-cyano-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-1-cyano-2-[2-keto-2-(4-methoxyphenyl)ethyl]isothiourea Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC(=NCC=C)NC#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC(=NCC=C)NC#N

InChI

InChI=1S/C14H15N3O2S/c1-3-8-16-14(17-10-15)20-9-13(18)11-4-6-12(19-2)7-5-11/h3-7H,1,8-9H2,2H3,(H,16,17)