ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanylcarbothioylpiperidine-3-carboxylate CAS Name: 1-[[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylcarbothioylpiperidine-3-carboxylate Traditional Name: 1-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]carbothioylnipecotic acid ethyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C25H28N2O3S2/c1-2-30-24(29)20-10-7-15-26(16-20)25(31)32-17-23(28)27-21-11-5-3-8-18(21)13-14-19-9-4-6-12-22(19)27/h3-6,8-9,11-12,20H,2,7,10,13-17H2,1H3