methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methyl-carbamimidothioate

Systemtic Name: methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-isothiourea CAS Name: N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methylcarbamimidothioate Traditional Name: 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-isothiourea Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1(OCCO1)C2=CC=C(C=C2)OC)SC

Isomeric SMILES

CN=C(NCC1(OCCO1)C2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C14H20N2O3S/c1-15-13(20-3)16-10-14(18-8-9-19-14)11-4-6-12(17-2)7-5-11/h4-7H,8-10H2,1-3H3,(H,15,16)