S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N-(phenylcarbonyl)carbamothioate

Systemtic Name: S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N-(phenylcarbonyl)carbamothioate Openeye Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N-benzoylcarbamothioate CAS Name: N-benzoylcarbamothioic acid S-[[2-oxo-1-[(4-phenoxyphenyl)methyl]-1-pyrrolidin-1-iumyl]] ester IUPAC Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-1-ium-1-yl] N-benzoylcarbamothioate Traditional Name: N-benzoylthiocarbamic acid S-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-1-ium-1-yl] ester Formula: C25H23N2O4S+ MolecularWeight: 447.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)[N+](C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c28-23-12-7-17-27(23,32-25(30)26-24(29)20-8-3-1-4-9-20)18-19-13-15-22(16-14-19)31-21-10-5-2-6-11-21/h1-6,8-11,13-16H,7,12,17-18H2/p+1