ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanylcarbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]sulfanylcarbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]sulfanylcarbothioylpiperidine-4-carboxylate CAS Name: 1-[[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]thio]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]sulfanylcarbothioylpiperidine-4-carboxylate Traditional Name: 1-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]thio]carbothioylisonipecotic acid ethyl ester Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)SCCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C26H30N2O3S2/c1-2-31-25(30)21-13-16-27(17-14-21)26(32)33-18-15-24(29)28-22-9-5-3-7-19(22)11-12-20-8-4-6-10-23(20)28/h3-10,21H,2,11-18H2,1H3