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

Systemtic Name: S-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-(2-anilino-2-oxo-ethyl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(2-anilino-2-oxoethyl)-3-pyrrolidinyl] ester IUPAC Name: S-[1-(2-anilino-2-oxoethyl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(2-anilino-2-keto-ethyl)pyrrolidin-3-yl] ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S/c22-18(20-16-9-5-2-6-10-16)14-21-12-11-17(13-21)24-19(23)15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,20,22)