(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-methylcarbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-methyl-isothiourea Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CN=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C13H14N2O3S/c1-15-13(14)19-7-8-5-12(16)18-11-6-9(17-2)3-4-10(8)11/h3-6H,7H2,1-2H3,(H2,14,15)