S-(3-phenylpropyl) 1-[(3-ethyl-3-bicyclo[3.3.1]nonanyl)carbamoyl]pyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-[(3-ethyl-3-bicyclo[3.3.1]nonanyl)carbamoyl]pyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-[(3-ethyl-3-bicyclo[3.3.1]nonanyl)carbamoyl]pyrrolidine-2-carbothioate CAS Name: 1-[[(3-ethyl-3-bicyclo[3.3.1]nonanyl)amino]-oxomethyl]-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-[(3-ethyl-3-bicyclo[3.3.1]nonanyl)carbamoyl]pyrrolidine-2-carbothioate Traditional Name: 1-[(3-ethyl-3-bicyclo[3.3.1]nonanyl)carbamoyl]pyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C26H38N2O2S MolecularWeight: 442.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2CCCC(C2)C1)NC(=O)N3CCCC3C(=O)SCCCC4=CC=CC=C4

Isomeric SMILES

CCC1(CC2CCCC(C2)C1)NC(=O)N3CCCC3C(=O)SCCCC4=CC=CC=C4

InChI

InChI=1S/C26H38N2O2S/c1-2-26(18-21-11-6-12-22(17-21)19-26)27-25(30)28-15-7-14-23(28)24(29)31-16-8-13-20-9-4-3-5-10-20/h3-5,9-10,21-23H,2,6-8,11-19H2,1H3,(H,27,30)