2-(pyrrolidin-1-ylsulfonylmethyl)benzenecarbothioamide

Systemtic Name: 2-(pyrrolidin-1-ylsulfonylmethyl)benzenecarbothioamide Openeye Name: 2-(pyrrolidin-1-ylsulfonylmethyl)benzenecarbothioamide CAS Name: 2-(1-pyrrolidinylsulfonylmethyl)benzenecarbothioamide IUPAC Name: 2-(pyrrolidin-1-ylsulfonylmethyl)benzenecarbothioamide Traditional Name: 2-(pyrrolidinosulfonylmethyl)thiobenzamide Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C12H16N2O2S2/c13-12(17)11-6-2-1-5-10(11)9-18(15,16)14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H2,13,17)