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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-methyl-isothiourea Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC)N

InChI

InChI=1S/C14H16N2O2S/c1-3-9-4-5-11-10(8-19-14(15)16-2)7-13(17)18-12(11)6-9/h4-7H,3,8H2,1-2H3,(H2,15,16)