[(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-azanylcarbamimidothioate

Systemtic Name: [(3R)-1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]isothiourea CAS Name: N'-aminocarbamimidothioic acid [(3R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-aminocarbamimidothioate Traditional Name: 3-amino-2-[(3R)-2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl]isothiourea Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NN)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)SC(=NN)N

InChI

InChI=1S/C13H16N4O3S/c1-2-20-9-5-3-8(4-6-9)17-11(18)7-10(12(17)19)21-13(14)16-15/h3-6,10H,2,7,15H2,1H3,(H2,14,16)/t10-/m1/s1