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

Systemtic Name: [(3R)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Openeye Name: 2-[(3R)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]-1,3-diethyl-isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid [(3R)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl] ester IUPAC Name: [(3R)-2,5-dioxo-1-phenethylpyrrolidin-3-yl] N,N'-diethylcarbamimidothioate Traditional Name: 2-[(3R)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]-1,3-diethyl-isothiourea Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SC1CC(=O)N(C1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCNC(=NCC)S[C@@H]1CC(=O)N(C1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S/c1-3-18-17(19-4-2)23-14-12-15(21)20(16(14)22)11-10-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1