(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl carbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl carbamimidothioate Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl carbamimidothioate Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=N)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC(=N)N)C

InChI

InChI=1S/C13H14N2O2S/c1-7-3-10-9(6-18-13(14)15)5-12(16)17-11(10)4-8(7)2/h3-5H,6H2,1-2H3,(H3,14,15)