(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NCC3CCCO3)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC[C@H]3CCCO3)N)C

InChI

InChI=1S/C18H22N2O3S/c1-11-5-6-15-13(8-16(21)23-17(15)12(11)2)10-24-18(19)20-9-14-4-3-7-22-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H2,19,20)/t14-/m1/s1