tert-butyl 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylthio)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylsulfanyl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylthio)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O2S MolecularWeight: 390.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCSC2=CC3=C(CCNCC3)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCSC2=CC3=C(CCNCC3)C=C2

InChI

InChI=1S/C22H34N2O2S/c1-22(2,3)26-21(25)24-13-8-17(9-14-24)10-15-27-20-5-4-18-6-11-23-12-7-19(18)16-20/h4-5,16-17,23H,6-15H2,1-3H3