S-(3-phenylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-(1,1-dimethylpropylcarbamoyl)piperidine-2-carbothioate CAS Name: 1-[(2-methylbutan-2-ylamino)-oxomethyl]-2-piperidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carbothioate Traditional Name: 1-(tert-amylcarbamoyl)piperidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)N1CCCCC1C(=O)SCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)NC(=O)N1CCCCC1C(=O)SCCCC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O2S/c1-4-21(2,3)22-20(25)23-15-9-8-14-18(23)19(24)26-16-10-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3,(H,22,25)