S-[1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-[2-oxo-2-(4-phenylphenyl)ethyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-[2-keto-2-(4-phenylphenyl)ethyl]pyrrolidin-3-yl] ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO2S/c27-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)18-26-16-15-23(17-26)29-25(28)22-9-5-2-6-10-22/h1-14,23H,15-18H2