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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-5-11-6-7-13-12(9-15(20)21-14(13)8-11)10-22-16(18)19-17(2,3)4/h6-9H,5,10H2,1-4H3,(H2,18,19)