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

Systemtic Name: [(3R)-1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl] N'-phenylcarbamimidothioate Openeye Name: 2-[(3R)-1-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [(3R)-1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-phenylcarbamimidothioate Traditional Name: 2-[(3R)-2,5-diketo-1-(3-methoxyphenyl)pyrrolidin-3-yl]-3-phenyl-isothiourea Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)SC(=NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N3O3S/c1-24-14-9-5-8-13(10-14)21-16(22)11-15(17(21)23)25-18(19)20-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H2,19,20)/t15-/m1/s1