(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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