S-(5-piperazin-1-ylcarbonylpyrrolidin-3-yl) benzenecarbothioate

Systemtic Name: S-(5-piperazin-1-ylcarbonylpyrrolidin-3-yl) benzenecarbothioate Openeye Name: S-[5-(piperazine-1-carbonyl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-(piperazine-1-carbonyl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-(piperazine-1-carbonyl)pyrrolidin-3-yl] ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2S/c20-15(19-8-6-17-7-9-19)14-10-13(11-18-14)22-16(21)12-4-2-1-3-5-12/h1-5,13-14,17-18H,6-11H2