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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

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