[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] N-cyano-N'-methyl-carbamimidothioate Openeye Name: 1-cyano-3-methyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid [2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] N-cyano-N'-methylcarbamimidothioate Traditional Name: 1-cyano-2-[2-keto-2-(2-ketochromen-3-yl)ethyl]-3-methyl-isothiourea Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCC(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CN=C(NC#N)SCC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C14H11N3O3S/c1-16-14(17-8-15)21-7-11(18)10-6-9-4-2-3-5-12(9)20-13(10)19/h2-6H,7H2,1H3,(H,16,17)