[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 2-(2-sulfanylethyl)piperidine-1-carboxylate

Systemtic Name: [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 2-(2-sulfanylethyl)piperidine-1-carboxylate Openeye Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-(2-sulfanylethyl)piperidine-1-carboxylate CAS Name: 2-(2-mercaptoethyl)-1-piperidinecarboxylic acid [3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-(2-sulfanylethyl)piperidine-1-carboxylate Traditional Name: 2-(2-mercaptoethyl)piperidine-1-carboxylic acid (3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCS)C(=O)OC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CCN(C(C1)CCS)C(=O)OC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H32N2O2S/c28-25(27-14-5-4-8-23(27)13-17-30)29-24-10-9-21-11-15-26(16-12-22(21)18-24)19-20-6-2-1-3-7-20/h1-3,6-7,9-10,18,23,30H,4-5,8,11-17,19H2