[2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate

Systemtic Name: [2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Openeye Name: 2-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1,3-diethyl-isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid [2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl] ester IUPAC Name: [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1,3-diethyl-isothiourea Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NCC

InChI

InChI=1S/C18H25N3O3S/c1-4-11-24-14-9-7-13(8-10-14)21-16(22)12-15(17(21)23)25-18(19-5-2)20-6-3/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,20)