S-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyrrolidin-3-yl-ethyl] benzenecarbothioate

Systemtic Name: S-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyrrolidin-3-yl-ethyl] benzenecarbothioate Openeye Name: S-[2-(benzylamino)-2-oxo-1-pyrrolidin-3-yl-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-oxo-2-[(phenylmethyl)amino]-1-(3-pyrrolidinyl)ethyl] ester IUPAC Name: S-[2-(benzylamino)-2-oxo-1-pyrrolidin-3-ylethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(benzylamino)-2-keto-1-pyrrolidin-3-yl-ethyl] ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C(C(=O)NCC2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCC1C(C(=O)NCC2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S/c23-19(22-13-15-7-3-1-4-8-15)18(17-11-12-21-14-17)25-20(24)16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,22,23)