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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C16H20N2O3S/c1-16(2,3)18-15(17)22-9-10-7-14(19)21-13-8-11(20-4)5-6-12(10)13/h5-8H,9H2,1-4H3,(H2,17,18)