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

Systemtic Name: methyl N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N-propyl-carbamimidothioate Openeye Name: 3-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-1-propyl-isothiourea CAS Name: N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N-propylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N-propylcarbamimidothioate Traditional Name: 3-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-1-propyl-isothiourea Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-4-9-17-15(22-3)18-12-16(20-10-11-21-16)13-5-7-14(19-2)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,17,18)