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(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl carbamimidothioate

(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl carbamimidothioate

Systemtic Name:(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl carbamimidothioate
Openeye Name:2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea
CAS Name:carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester
IUPAC Name:(7,8-dimethyl-2-oxochromen-4-yl)methyl carbamimidothioate
Traditional Name:2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea
Formula: C13H14N2O2S
MolecularWeight: 262.32746
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=N)N)C


Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=N)N)C


InChI

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


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