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

Systemtic Name: [2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N'-phenylcarbamimidothioate Openeye Name: 2-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl] ester IUPAC Name: [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N'-phenylcarbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N3O3S/c1-2-12-26-16-10-8-15(9-11-16)23-18(24)13-17(19(23)25)27-20(21)22-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H2,21,22)