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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3

InChI

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